General Lab Information

Publications

2023

  1. Jimenez-Orozco, C. & Rodriguez, J. (2023). Selective hydrogenation of acetylene to ethylene: Performance of a Pt monolayer over an a-WC(0001) surface for binding and hydroconversion of acetylene. Surface Science, 728 https://dx.doi.org/10.1016/j.susc.2022.122197
  2. Marcos, F. & Rodriguez, J. (2023). The role of copper crystallization and segregation toward enhanced methanol synthesis via CO2 hydrogenation over CuZrO2 catalysts: A combined experimental and computational study. Chemical Engineering Journal, 443 https://dx.doi.org/10.1016/j.cej.2022.139519

2022

  1. Xu, J. & Hu, E. (2022). Lithium Halides Cathodes for Li Metal Batteries. Joule https://dx.doi.org/10.1016/j.joule.2022.11.002
  2. Tan, S. & Hu, E. (2022). Unravelling the convoluted and dynamic interphasial mechanisms on Li metal anodes. Nature Nanotechnology https://dx.doi.org/10.1038/s41565-022-01273-3
  3. Soto Perez, J. & Sasaki, K. (2022). Combined Rotating Disk Slurry Electrodeposition-Spontaneous Galvanic Displacement for Pt-M (M = Co, Ni, and Cu) Catalyst Synthesis for the Oxygen Reduction Reaction in Alkaline Media. Acs Applied Energy Materials, 5(12), 15175-15187 https://dx.doi.org/10.1021/acsaem.2c02843
  4. Graciani, J. & Rodriguez, J. (2022). Conversion of CO2 to methanol and ethanol on Pt/CeOx/TiO2(110): Enabling role of water in C-C bond formation. ACS Catalysis, 12, 15097-15109 https://dx.doi.org/10.1021/acscatal.2c03823
  5. Zhu, W. & Hu, E. (2022). Ultra-fast non-equilibrium synthesis of cathode materials for Li-ion batteries. Advanced Materials https://dx.doi.org/10.1002/adma.202208974
  6. Shin, N. & Bird, M. (2022). Radicals as Exceptional Electron-Withdrawing Groups: Nucleophilic Aromatic Substitution of Halophenols Via Homolysis-Enabled Electronic Activation. Journal Of the American Chemical Society, 144(47), 21783-21790 https://dx.doi.org/10.1021/jacs.2c10296
  7. Asor, L. & Frenkel, A. (2022). Zn-Doped P-Type InAs Nanocrystal Quantum Dots. Advanced Materials https://dx.doi.org/10.1002/adma.202208332
  8. Rodrigo, N. & Yang, X. (2022). Use of Ethylene Carbonate Free Ester Solvent Systems with Alternative Lithium Salts for Improved Low Temperature Performance in NCM622|| Graphite Li-ion Batteries. Journal of The Electrochemical Society https://dx.doi.org/10.1149/1945-7111/ac9d0a
  9. di Vacri, M. & Yeh, M. (2022). Identification of background limitations to ultra-sensitive LSC counting through ICP-MS assay of LSC cocktails. Journal Of Radioanalytical and Nuclear Chemistry https://dx.doi.org/10.1007/s10967-022-08591-9
  10. Xu, F. & Liu, P. (2022). Enhanced Oxide Reduction by Hydrogen at Cuprous Oxide-Copper Interfaces near Ascending Step Edges. Journal Of Physical Chemistry C, 126(44), 18645-18651 https://dx.doi.org/10.1021/acs.jpcc.2c03719
  11. Shao, B. & Hu, E. (2022). Enabling Conversion-Type Iron Fluoride Cathode by Halide-Based Solid Electrolyte. Advanced Functional Materials https://dx.doi.org/10.1002/adfm.202206845
  12. Blasczak, V. & Grills, D. (2022). Steric and Lewis Basicity Influence of the Second Coordination Sphere on Electrocatalytic CO2 Reduction by Manganese Bipyridyl Complexes. Inorganic Chemistry, 61(40), 15784-15800 https://dx.doi.org/10.1021/acs.inorgchem.2c02586
  13. Kim, J. & Hu, E. (2022). High Current-Density-Charging Lithium Metal Batteries Enabled by Double-Layer Protected Lithium. Advanced Functional Materials https://dx.doi.org/10.1002/adfm.202207172
  14. Espinosa, M. & Ertem, M. (2022). Correlating Thermodynamic and Kinetic Hydricities of Rhenium Hydrides. Journal Of the American Chemical Society, 144(39), 17939-17954 https://dx.doi.org/10.1021/jacs.2c07192
  15. Wang, H. & Frenkel, A. (2022). Tuning the Placement of Pt "Single Atoms" on a Mixed CeO2-TiO2 Support. Journal Of Physical Chemistry C https://dx.doi.org/10.1021/acs.jpcc.2c05198
  16. Lueckheide, M. & Ertem, M. (2022). Peroxide-Selective Reduction of O-2 at Redox-Inactive Rare-Earth(III) Triflates Generates an Ambiphilic Peroxide. Journal Of the American Chemical Society, 144(37), 17295-17306 https://dx.doi.org/10.1021/jacs.2c08140
  17. Yao, L. & Hu, E. (2022). High-Entropy and Superstructure-Stabilized Layered Oxide Cathodes for Sodium-Ion Batteries. Advanced Energy Materials https://dx.doi.org/10.1002/aenm.202201989
  18. Zou, P. & Yang, X. (2022). Localized hydrophobicity in aqueous zinc electrolytes improves zinc metal reversibility. Nano Letters https://dx.doi.org/10.1021/acs.nanolett.2c02514
  19. Huang, E. & Liu, P. (2022). Highly Selective Methane to Methanol Conversion on Inverse SnO2/ Cu2O/Cu(111) Catalysts: Unique Properties of SnO2 Nanostructures and the Inhibition of the Direct Oxidative Combustion of Methane. Acs Catalysis, 12(18) https://dx.doi.org/10.1021/acscatal.2c03060
  20. Rui, N. (2022). CO2 Hydrogenation to Methanol over Inverse ZrO2/Cu(111) Catalysts: The Fate of Methoxy under Dry and Wet Conditions. Journal of Physical Chemistry C https://dx.doi.org/10.1021/acs.jpcc.2c03723
  21. He, Y. & Hu, E. (2022). Dual Passivation of Cathode and Anode through Electrode-Electrolyte Interface Engineering Enables Long Lifespan Li Metal-SPAN Batteries. ACS Energy Letters, 7(9), 2866-2875 https://dx.doi.org/10.1021/acsenergylett.2c01093
  22. Weber, D. & Senanayake, S. (2022). Carbon Nanosphere-Encapsulated Fe Core-Shell Structures for Catalytic CO2 Hydrogenation. Acs Applied Nano Materials https://dx.doi.org/10.1021/acsanm.2c02602
  23. Rong, W. & Tan, S. (2022). Few-Atom Copper Catalyst for the Electrochemical Reduction of CO to Acetate: Synergetic Catalysis Between Neighboring Cu Atoms. Chinese Chemical Society https://dx.doi.org/10.31635/ccschem.022.202201910
  24. Li, C. & Sasaki, K. (2022). Nitrogen-doped PtNi Catalysts on PBI-functionalized Carbon Support for the Oxygen Reduction Reaction in PEMFC. ACS Applied Materials and Interfaces, 23, 26814-26823 https://dx.doi.org/10.1021/acsami.2c05717
  25. Allega, A. & Yeh, M. (2022). Improved search for invisible modes of nucleon decay in water with the SNO+ detector. Physical Review D, 105(11) https://dx.doi.org/10.1103/PhysRevD105.112012
  26. Chen, D. & Jimenez, J. (2022). Mechanistic Investigations of Gas-Phase Catalytic Hydrogenation in Metal-Organic Frameworks: Cooperative Activity of the Metal and Linker Sites in CuxRh3-x(BTC)(2). Journal Of Physical Chemistry C https://dx.doi.org/10.1021/acs.jpcc.2c02592
  27. Mao, Z. & Liu, P. (2022). Trends and descriptors of heterogeneous hydroformylation activity and selectivity of RhM3 (M = Fe, Co, Ni, Cu and Zn) catalysts. Catalysis Science & Technology, (16) https://dx.doi.org/10.1039/d2cy00821a
  28. Lustemberg, P. & Senanayake, S. (2022). Tuning Selectivity in the Direct Conversion of Methane to Methanol: Bimetallic Synergistic Effects on the Cleavage of C−H and O−H Bonds over NiCu/CeO2 Catalysts. Journal of Physical Chemistry Letters, 13(24), 5589 https://dx.doi.org/10.1021/acs.jpclett.2c00885
  29. Chepovetsky, A. & Senanayake, S. (2022). Lithium-Ion Battery Materials as Tunable, Redox Non-Innocent 2 Catalyst Supports. ACS Catalysts, 32 https://dx.doi.org/10.1021/acscatal.2c00935
  30. Nan, B. & Yang, X. (2022). Enhancing Li+ Transport in NMC811||Graphite Lithium-Ion Batteries at Low temperatures by Using Low-Polarity-Solvent Electrolytes. Angewandte Chemie International Edition https://dx.doi.org/10.1002/anie.202205967
  31. Iwamatsu, K. (2022). Radiation-induced reaction kinetics of Zn2+ with e(S)(-) and Cl-2(-) in Molten LiCl-KCl eutectic at 400-600 degrees C. Physical Chemistry Chemical Physics, 48 https://dx.doi.org/10.1039/d2cp01194h
  32. Maroney, M. & Cabelli, D. (2022). Pro5 is not essential for the formation of 'Ni-Hook' in Nickel Superoxide Dismutase. Journal of Inorganic Biochemistry https://www.osti.gov/biblio/1873169
  33. Lin, R. & Yang, X. (2022). Characterization of the structure and chemistry of the solid-electrolyte interface by cryoEM leads to high-performance solid-state Li-metal batteries. Nature Technology https://dx.doi.org/10.1038/s41565-022-01148-7
  34. Qin, K. & Hu, E. (2022). Synergy of carbonyl and azo chemistries for wide-temperature range rechargeable aluminum organic batteries. Nano Energy https://dx.doi.org/10.1016/j.nanoen.2022.107554
  35. Xie, Z. (2022). Catalytic Tandem CO2-Ethane Reactions and Hydroformylation for C3 Oxygenate Production. Acs Catalysis, 12(14) https://dx.doi.org/10.1021/acscatal.2c01700
  36. McGuire, S. & Sasaki, K. (2022). Yttrium-based Double Perovskite Nanorods for Electrocatalysis. Acs Applied Materials & Interfaces https://dx.doi.org/10.1021/acsami.2c07377
  37. Liu, Y. & Frenkel, A. (2022). Z-Contrast Enhancement in Au-Pt Nanocatalysts by Correlative X-ray Absorption Spectroscopy and Electron Microscopy implications for Composition Determination. ACS Applied nano Materials, 42 https://dx.doi.org/10.1021/acsanm.2c00393
  38. Jimenez-Orozco, C. & Rodriguez, J. (2022). Effect of Nanostructuring on the interaction of CO2 with molybdenum carbide nanoparticles. Physical Chemistry Chemical Physics, 43 https://dx.doi.org/10.1039/d2cp01143c
  39. Denny, S. & Chen, J. (2022). Machine Learning prediction and experimental verification of Pt-modified nitride catalysts for ethanol reforming with reduced precious metal loading. Applied Catalysis B-Environmental, 312 https://dx.doi.org/10.1016/j.apcatb.2022.12138
  40. Ramos-Ballesteros, A. & Wishart, J. (2022). Radiation-Induced Long-Lived Transients and Metal Particle Formation in Solid KCl-MgCl2 Mixtures. The Journal of Physical Chemistry C, 126(23), 9820-9830 https://dx.doi.org/10.1021/acs.jpcc.2c01725
  41. Horne, G. & Cook, A. (2022). Transient Radiation-Induced Berkelium(III) and Californium(III) Redox Chemistry in Aqueous Solution. Inorganic Chemistry https://www.osti.gov/biblio/1874890
  42. Pan, Y. & Sasaki, K. (2022). A high-performance and durable direct NH3 tubular protonic ceramic fuel cell integrated with an internal catalyst layer. Applied Catalysis B-Environmental, 306 https://dx.doi.org/10.1016/j.apcatb.2022.12107
  43. Zhang, H. & Sasaki, K. (2022). Surface Regulating of a Double-perovskite Electrode for Protonic Ceramic Fuel Cells to Enhance Oxygen Reduction Activity and Contaminants Poisoning Tolerance. Advanced Energy Matter, (5) https://dx.doi.org/10.1002/aenm.2022007561
  44. Ramos-Ballesteros, A. & Wishart, J. (2022). Radiation-induced long-lived transients and metal particle formation in solid KCI-MgC12 mixtures. The Journal of Physical Chemistry, 126 https://dx.doi.org/10.102/acs.jpcc.2c01725
  45. Iwamatsu, K. (2022). Radiation-Induced Reaction Kinetics of Zn2+ with eS - and Cl2 - in Molten LiCl-KCl Eutectic at 400-600 °C. Phys. Chem. Chem. Phys., 24 https://dx.doi.org/10.1039/d2cp01194
  46. Bitters, J. & Senanayake, S. (2022). Utilizing bimetallic catalysts to mitigate coke formation in dry reforming of methane. Journal of Energy Chemistry, 68(124) https://dx.doi.org/10.1016/j.jechem.2021.11.041
  47. Tan, S. (2022). Additive engineering for robust interphases to stabilize high-Ni layered structures at ultra-high voltage of 4.8V. Nature Energy https://dx.doi.org/10.1038/s41560-022-01020-x
  48. Hu, E. (2022). An electrolyte additive allows stable high-voltage cycling of a nickel-rich layered cathode. Nature Energy https://dx.doi.org/10.1038/s41560-022-01021w
  49. Millet, A. & Bird, M. (2022). Bioinspired Supercharging of Photoredox Catalysis for Applications in Energy and Chemical Manufacturing. American Chemical Society, (55), 1423-14343 https://dx.doi.org/10.1021/acs.accounts.2c00083
  50. Song, L. & Sasaki, K. (2022). One-Step Facile Synthesis of High Activity Nitrogen-Doped PtNiN Oxygen Reduction Catalyst. Acs Applied Energy Materials, 5(4), 5245-5255 https://dx.doi.org/10.1021/acsaem.2c00631
  51. Pei, K. & Sasaki, K. (2022). Surface restructuring of a perovskite-type air electrode for reversible protonic ceramic electrochemical cells. Nature Communications, 13(1) https://dx.doi.org/10.1038/s41467-022-29866-5
  52. Zhao, X. & Sasaki, K. (2022). Advanced Pt-based Core-Shell Electrocatalysts for Fuel Cell Cathodes. American Chemical Society https://dx.doi.org/10.1021/acs.accounts.2c00057
  53. Liu, P. (2022). enhanced descriptor identification and mechanism understanding for catalytic activity using a data driven framework: revealing the importance of interactions between elementary steps. Catalysis Science and Technology https://dx.doi.org/10.1039/D2CYO0284A
  54. Cheng, C. & Sasaki, K. (2022). Modulation of coordination environment enhances electrocatalytic efficiency of Mo single atoms toward water splitting. Journals of Materials Chemistry A, 10(16) https://dx.doi.org/10.1039/D2Ta01750d
  55. Kordis, G. & Ertem, M. (2022). Reorganization Energy of Electron Transfer in Ionic Liquids. Journal of Physical Chemistry Letters, 13(14), 3297-3303 https://dx.doi.org/10.1021/acs.jpclett.2c00733
  56. Grills, D. (2022). Coupling Pulse Radiolysis with Nanosecond Time-Resolved Step-Scan FT-IR Spectroscopy: Broadband Mid-Infrared Detection of Radiolytically-Generated Transients. Applied Spectroscopy https://dx.doi.org/10.1177/00037028221097429
  57. Zou, H. & Hu, E. (2022). Low-Valence Metal Single Atoms on Graphdiyne Promotes Electrochemical Nitrogen Reduction via M-to-N2 π-Backdonation. Advanced Functional Materials https://dx.doi.org/10.1002/adfm.202200333
  58. Xie, Z. & Chen, J. (2022). General Descriptors for CO2-Assisted Selective C-H/C-C Bond Scission in Ethane. Journal Of the American Chemical Society, 144(9), 4186-4195 https://dx.doi.org/10.1021/jacs.1c13415
  59. Zhang, B. & Frenkel, A. (2022). Molecular Design of Supported MoOx Catalysts with Surface TaOx Promotion for Olefin Metathesis. ACS Catalysis, 12(5), 3226-3237 https://dx.doi.org/10.1021/acscatal.1c06000
  60. Kang, J. & Rodriguez, J. (2022). Understanding the Surface Structure and Catalytic Activity of SnOx/Au(111) Inverse Catalysts for CO2 and H2 Activation. Journal of Physical Chemistry C https://dx.doi.org/10.1021/acs.jpcc.2c00138
  61. Xie, Z. (2022). Coupling CO2 reduction with ethane aromatization for enhancing catalytic stability of iron-modified ZSM-5. Journal Of Energy Chemistry, 66, 210-217 https://dx.doi.org/10.1016/j.jechem.2021.08.005
  62. Zhang, Y. & Hu, E. (2022). Mechanistic Insights into the Interplay between Ion Interaction and Water Electrolysis. American Chemical Society Applied Materials and Interfaces, 14(10), 12130-12139 https://dx.doi.org/10.1021/acsami.1c19684
  63. Fujita, E. (2022). Understanding the Role of Inter- and Intramolecular Promoters in Electro- and Photochemical CO2 Reduction Using Mn, Re, and Ru Catalysts. Accounts of Chemical research, 55(5) https://dx.doi.org/10.1021/acs.accounts.1c00616
  64. Tan, S. & Yang, X. (2022). Isoxazole-based Electrolytes for Lithium Metal Protection and Lithium-Sulfurized Polyacrylonitrile (SPAN) Battery Operating at Low Temperature. Journal of The Electrochemical Society https://dx.doi.org/10.1149/1945-7111/ac58c5/ac11a6
  65. Biswas, A. & Xie, Z. (2022). Can CO2-assisted alkane dehydrogenation lead to negative CO2 emissions?. Joule, 6(2), 269-273 https://dx.doi.org/10.1016/j.joule.2021.12.008
  66. Marcella, N. & Frenkel, A. (2022). Decoding reactive structures in dilute alloy catalysts. Nature Communications, 13(1) https://dx.doi.org/10.1038/s41467-022-28366-w
  67. Fu , J. & Frenkel, A. (2022). Modulating the dynamics of Bronsted acid sites on PtWOx inverse catalyst. Nature Catalysis https://dx.doi.org/10.1038/s41929-022-00745-y
  68. Cosby, M. & Khalifah, P. (2022). Operando Synchrotron Studies of Inhomogeneity during Anode-Free Plating of Li Metal in Pouch Cell Batteries. Journal Of the Electrochemical Society, 169(2) https://dx.doi.org/10.1149/1945-7111/ac5345
  69. Kaptanoglu, T. & Yeh, M. (2022). Cherenkov and scintillation separation in water-based liquid scintillator using an LAPPD (TM). European Physical Journal C, 82(2) https://dx.doi.org/10.1140/epjc/s10052-022-10087-5
  70. Xiang, S. & Frenkel, A. (2022). Solving the structure of single-atom catalysts using machine learning - assisted XANES analysis. Physical Chemistry Chemical Physics https://dx.doi.org/10.1039/d1cp05513e
  71. Bawane, K. & Wishart, J. (2022). Visualizing Time-Dependent Microstructural and Chemical Evolution during Molten Salt Corrosion of Ni-20Cr Model Alloy using Correlative Quasi In Situ TEM and In Situ Synchrotron X-ray Nanotomography. Corrosion Science, 195 https://dx.doi.org/10.1016/j.corsci.2021.109962
  72. Polyansky, D. (2022). Role of Bimetallic Interactions in the Enhancement of Catalytic CO2 Reduction by a Macrocyclic Cobalt Catalyst. ACS Catalysis, 12(38), 1706-1717 https://dx.doi.org/10.1021/acscatal.1c05043
  73. Chen, X. & Hu, E. (2022). Dynamically preferred state with strong electronic fluctuations from electrochemical synthesis of sodium manganate. Matter https://dx.doi.org/10.1016/j.matt.2021.12.012
  74. Peterson, E. & Senanayake, S. (2022). Infrared reflection absorption spectroscopy and temperature-programmed desorption studies of CO adsorption on Ni/CeO2(111) thin films: The role of the ceria support. Journal Of Vacuum Science & Technology A, 40(1) https://dx.doi.org/10.1116/6.0001409

2021

  1. Rui, N. & Rodriguez, J. (2021). CO2 Hydrogenation on ZrO2/Cu(111) Surfaces: Production of Methane and Methanol. Industrial and Engineering Chemistry Research https://dx.doi.org/10.1021/acs.iecr.1c03229
  2. Foucher, A. & Frenkel, A. (2021). Structural and Valence State Modification of Cobalt in CoPt Nanocatalysts in Redox Conditions. Acs Nano, 15(12), 20619-20632 https://dx.doi.org/10.1021/acsnano.1c09450
  3. Grills, D. (2021). Solvated Electron in Acetonitrile: Radiation Yield, Absorption Spectrum, and Equilibrium Between Cavity- and Solvent-Localized States. The Journal of Physical Chemistry B https://dx.doi.org/10.1021/acs.jpcb.1c08946
  4. Gonzalez-Lopez, L. & Wishart, J. (2021). On the mechanism of the steady-state gamma radiolysis-induced scissions of the phenyl-vinyl polyester-based resins. Frontiers in Chemistry https://dx.doi.org/10.3389/fchem.2021.803347
  5. Gil-Gonzalez, E. & Hu, E. (2021). Synergistic effects of chlorine substitution in sulfide electrolyte solid state batteries. Energy Storage Materials, 45, 484-493 https://dx.doi.org/10.1016/j.ensm.2021.12.008
  6. Mao, Z. (2021). Comparison of Heterogeneous Hydroformylation of Ethylene and Propylene over RhCo3/MCM-41 Catalysts. Acs Catalysis, 11(23), 14575-14585 https://dx.doi.org/10.1021/acscatal.1c04359
  7. Mao, Z. & Chen, J. (2021). Comparison of Heterogeneous Hydroformylation of Ethylene and Propylene over RhCo3/MCM-41 Catalysts. Acs Catalysis, 11(23), 14595-14585 https://dx.doi.org/10.1021/acscatal.1c04359
  8. Biswas, A. & Chen, J. (2021). Oxygenate Production from Plasma-Activated Reaction of CO2 and Ethane. Acs Energy Letters https://dx.doi.org/10.1021/acsenergylett.1c02355
  9. Thanh, L. & Liu, P. (2021). Discharging Behavior of Hollandite alpha-MnO2 in a Hydrated Zinc-Ion Battery. Acs Applied Materials & Interfaces https://dx.doi.org/10.1021/acsami.1c18849
  10. Reina, T. & Rodriguez, J. (2021). Au and Pt Remain Unoxidized on a CeO2-Based Catalyst during the Water-Gas Shift Reaction. Journal Of the American Chemical Society https://dx.doi.org/10.1021/jacs.1c10481
  11. Shadike, Z. & Yang, X. (2021). Engineering and characterization of interphases for lithium metal anodes. Chemical Science https://dx.doi.org/10.1039/d1sc06181j
  12. Pei, K. & Sasaki, K. (2021). An improved oxygen reduction reaction activity and CO2-tolerance of La0.6Sr0.4Co0.2Fe0.8O3-delta achieved by a surface modification with barium cobaltite coatings. Journal Of Power Sources, 514 https://dx.doi.org/10.1016/j.jpowsour.2021.230573
  13. Lin, L. & Rodriguez, J. (2021). Reversing sintering effect of Ni particles on gamma-Mo2N via strong metal support interaction. Nature Communications, 12(1) https://dx.doi.org/10.1038/s41467-021-27116-8
  14. Qian, Y. & Yang, X. (2021). A new cyclic carbonate enables high power/ low temperature lithium-ion batteries. Energy Storage Materials, 45, 14-23 https://dx.doi.org/10.1016/j.ensm.2021.11.029
  15. Wang, J. & White, M. (2021). Surface Structure of Mass-selected Niobium Oxide Nanoclusters on Au(111). Nanotechnology, 32(47) https://dx.doi.org/10.1088/1361-6528/ac1cc0
  16. Cao, M. & Yang, X. (2021). Oxygen redox chemistry in P2-Na0.6Li0.11Fe0.27Mn0.62O2 cathode for high-energy Na-ion batteries. Journal of Materials Chemistry A https://dx.doi.org/10.1039/d1ta08471b
  17. Liu, Y. & Frenkel, A. (2021). Probing Active Sites in CuxPdy Cluster Catalysts by Machine-Learning-Assisted X-ray Absorption Spectroscopy. Acs Applied Materials & Interfaces, 13(45), 53363-53374 https://dx.doi.org/10.1021/acsami.1c06714
  18. Sampaio, R. (2021). Proton-Coupled Group Transfer Enables Concerted Protonation Pathways Relevant to Small-Molecule Activation. Inorganic Chemistry, 60(12), 16953-16965 https://dx.doi.org/10.1021/acs.inorgchem.1c01609
  19. Wang, H. & Frenkel, A. (2021). Aliovalent Doping of CeO2 Improves the Stability of Atomically Dispersed Pt. Acs Applied Materials & Interfaces, 13(44), 52736-52742 https://dx.doi.org/10.1021/acsami.1c18330
  20. Cook, A. (2021). Sub-Picosecond Production of Solute Radical Cations in THF after Radiolysis. The Journal of Physical Chemistry A https://dx.doi.org/10.1021/acs.jpca.1c08568
  21. Aydogan, A. & Sampaio, R. (2021). Mechanistic Investigation of a Visible Light Mediated Dehalogenation/Cyclisation Reaction using Iron(III), Iridium(III) and Ruthenium(II) Photosensitizers. Catalysis Science & Technology https://dx.doi.org/10.1039/D1CY01771C
  22. Huang, E. & Rodriguez, J. (2021). Selective Methane Oxidation to Methanol on ZnO/Cu2O/Cu(111) Catalysts: Multiple Site-dependent Behaviors. Journal of the American Chemical Society https://dx.doi.org/10.1021/jacs.1c08063
  23. Zhang, H. & Sasaki, K. (2021). An Efficient and Durable Anode for Ammonia Protonic Ceramic Fuel Cells. Energy & Environmental Science https://dx.doi.org/10.1039/d1ee02158c
  24. Celis Barros, C. & Cook, A. (2021). Influence of Uranyl Complexation on the Reaction Kinetics of the Dodecane Radical Cation with Used Nuclear Fuel Extraction Ligands (TBP, DEHBA, and DEHiBA). Physical Chemistry Chemical Physics https://dx.doi.org/10.1039/D1CP03797H
  25. Ajimura, S. & Yeh, M. (2021). The JSNS(2) detector. Nuclear Instruments & Methods In Physics Research Section A-Accelerators Spectrometers Detectors and Associated Equipment, 1014 https://dx.doi.org/10.1016/j.nima.2021.165742
  26. Wei, H. & Frenkel, A. (2021). Single-nanometer iron oxide nanoparticles as tissue permeable MRI contrast agents. Proceedings Of the National Academy Of Sciences Of the United States Of America, 118(42) https://dx.doi.org/10.1073/pnas.2102340118
  27. Liu, J. & Hu, E. (2021). Anionic Redox Induced Anomalous Structural Transition in Ni-rich Cathodes. Energy & Environmental Science https://dx.doi.org/10.1039/D1EE02987H
  28. Xia, H. & Hu, E. (2021). A new carbon-incorporated lithium phosphate solid electrolyte. Journal of Power Sources https://dx.doi.org/10.1016/j.jpowsour.2021.230603
  29. Salvatore, K. & Rodriguez, J. (2021). Microwave-Assisted Synthesis of Cu@IrO2 Core-Shell Nanowires for Low-Temperature Methane Conversion. ACS Applied Nano Materials https://dx.doi.org/10.1021/acsanm.1c02620
  30. Wang, F. & Hu, E. (2021). Quantifying and Suppressing Proton Intercalation to Enable High-Voltage Zn-Ion Batteries. Advanced Energy Materials https://dx.doi.org/10.1002/aenm.202102016
  31. Huang, C. & Sasaki, K. (2021). Twinning Enhances Efficiencies of Metallic Catalysts toward Electrolytic Water Splitting. Advanced Energy Materials https://dx.doi.org/10.1002/aenm.202101827
  32. Liu, L. & Senanayake, S. (2021). Effect of Ni particle size on the production of renewable methane from CO2 over Ni/CeO2 catalyst. Journal Of Energy Chemistry, 61, 602-611 https://dx.doi.org/10.1016/j.jechem.2021.02.021
  33. Aydogan, A. & Sampaio, R. (2021). Accessing Photoredox Transformations with an Iron(III) Photosensitizer and Green Light. Journal Of the American Chemical Society, 143(38), 15661-15673 https://dx.doi.org/10.1021/jacs.1c06081
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2020

  1. Liu, X. & Hu, E. (2020). Prelithiated Li-Enriched Gradient Interphase toward Practical High-Energy NMC-Silicon Full Cell. ACS Energy Letters https://dx.doi.org/10.1021/acsenergylett.0c02487
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  24. Roy, S. & Sasaki, K. (2020). Structure and dynamics of the molten alkali-chloride salts from an X-ray, simulation, and rate theory perspective. Physical Chemistry Chemical Physics, 22(40), 22900-22917 https://dx.doi.org/10.1039/d0cp03672b
  25. Mattei, G. & Khalifah, P. (2020). Enumeration as a Tool for Structure Solution: A Materials Genomic Approach to Solving the Cation-Ordered Structure of Na3V2(PO4)(2)F-3. Chemistry Of Materials, 32(20), 8981-8992 https://dx.doi.org/10.1021/acs.chemmater.0c03190
  26. Shadike, Z. (2020). Review on Organosulfur Materials for Rechargeable Lithium Batteries. Materials Horizons https://dx.doi.org/10.1039/d0mh01364a
  27. Lustemberg, P. & Rodriguez, J. (2020). Breaking Simple Scaling Relations Through Metal-Oxide Interactions: Understanding Room Temperature Activation of Methane on M-CeO2 (M= Pt, Ni or Co) Interfaces. Journal of Physical Chemistry Letters https://dx.doi.org/10.1021/acs.jpclett.0c02109
  28. Xie, Z. (2020). Interfacial Active Sites for CO2 Assisted Selective Cleavage of C-C/C-H Bonds in Ethane. Chem, 6(10), 2703-2716 https://dx.doi.org/10.1016/j.chempr.2020.07.011
  29. Ma, Y. & White, M. (2020). Reactivity of a Zirconia-Copper Inverse Catalyst for CO2 Hydrogenation. The Journal of Physical Chemistry https://www.osti.gov/biblio/1670666
  30. Carrillo, P. & White, M. (2020). In Situ Structural Study of Manganese and Iron Oxide Promoted Rhodium Catalysts for Oxygenate Synthesis. Applied Catalysis A https://www.osti.gov/biblio/1670667
  31. Rui, N. & Rodriguez, J. (2020). Hydrogenation of CO2 to Methanol on a Au delta+-In2O3-x Catalyst. Acs Catalysis, 10(19), 11307-11317 https://dx.doi.org/10.1021/acscatal.0c02120
  32. Metavarayuth, K. & Senanayake, S. (2020). Direct Identification of Mixed-Metal Centers in Metal-Organic Frameworks: Cu-3(BTC)(2) Transmetalated with Rh2+ Ions. Journal Of Physical Chemistry Letters, 11(19), 8138-8144 https://dx.doi.org/10.1021/acs.jpclett.0c02539
  33. Timoshenko, J. & Frenkel, A. (2020). Silver clusters shape determination from in-situ XANES data. Pergamon-Elsevier Science Ltd, 175 https://dx.doi.org/10.1016/j.radphyschem.2018.11.003
  34. Marcos, F. & Rodriguez, J. (2020). Insights into the methanol synthesis mechanism via CO2 hydrogenation over Cu-ZnO-ZrO2 catalysts: Effects of surfactant/Cu-Zn-Zr molar ratio. Journal of CO2 Utilization, 40 https://www.osti.gov/biblio/1637476
  35. Takedo, N. & Miller, J. (2020). The Inverted Region in Bimolecular Electron Transfer in Solution Enabled by Delocalization. Journal of the American Chemical Society https://dx.doi.org/10.1021/jacs.0c04780
  36. Aharmim, B. & Yeh, M. (2020). Search for hep solar neutrinos and the diffuse supernova neutrino background using all three phases of the Sudbury Neutrino Observatory. Physical Review D, 102(6) https://dx.doi.org/10.1103/PhysRevD.102.062006
  37. Yang, J. & Bak, S. (2020). Structural Stabilization of P2-type Sodium Iron Manganese Oxides by Electrochemically Inactive Mg-substitution: Insights of Redox Behavior and Voltage Decay. ChemSusChem https://dx.doi.org/10.1002/cssc.202001963
  38. Hu, J. & Hu, E. (2020). Mesoscale-architecture-based crack evolution dictating cycling stability of advanced lithium ion batteries. Nano Energy, 79 https://dx.doi.org/10.1016/j.nanoen.2020.105420
  39. Figueras, M. & Rodriguez, J. (2020). Supported Molybdenum Carbide Nanoparticles as Hot Hydrogen Reservoirs for Catalytic Applications. Journal of Physical Chemistry Letters, 11, 8437-8441 https://dx.doi.org/10.1021/acs.jpclett.0c02608
  40. Zhao, X. & Sasaki, K. (2020). High-Performance Nitrogen-Doped Intermetallic PtNi Catalyst for the Oxygen Reduction Reaction. Acs Catalysis, 10(18), 10637-10645 https://dx.doi.org/10.1021/acscatal.0c03036
  41. Han, L. & Rui, N. (2020). Modulating Single-Atom Palladium Sites with Copper for Enhanced Ambient Ammonia Electrosynthesis. Angewandte Chemie-International Edition https://dx.doi.org/10.1002/anie.202010159
  42. Marcella, N. & Frenkel, A. (2020). Neural network assisted analysis of bimetallic nanocatalysts using X-ray absorption near edge structure spectroscopy. Physical Chemistry Chemical Physics, 22(34), 18902-18910 https://dx.doi.org/10.1039/d0cp02098b
  43. Lozano-Reis, P. & Rodriguez, J. (2020). Structural, Electronic and Magnetic Properties of Ni Nanoparticles Supported on the TiC(001) Surface. Physical Chemistry Chemical Physics https://dx.doi.org/10.1039/d0cp04884d
  44. Han, J. & Bak, S. (2020). New High-Performance Pb-Based Nanocomposite Anode Enabled by Wide-Range Pb Redox and Zintl Phase Transition. Advanced Functional Materials https://dx.doi.org/10.1002/adfm.202005362
  45. Ke, W. & Rodriguez, J. (2020). Nucleation and Initial Stages of Growth during the Atomic Layer Deposition of Titanium Oxide on Mesoporous Silica. Nano Letters, 20(9), 6884-6890 https://dx.doi.org/10.1021/acs.nanolett.0c02990
  46. Vovchok, D. (2020). Deciphering Dynamic Structural and Mechanistic Complexity in Cu/CeO2/ZSM-5 Catalysts for the Reverse Water-Gas Shift Reaction. Acs Catalysis, 10(17), 10216-10228 https://dx.doi.org/10.1021/acscatal.0c01584
  47. Shi, L. & Shadike, Z. (2020). Reaction Heterogeneity in Practical High-Energy Lithium-Sulfur Pouch Cells. Advanced Functional Materials https://dx.doi.org/10.1039/D0EE02088E
  48. Steinruck, H. & Wishart, J. (2020). Interfacial Speciation Determines Interfacial Chemistry: X-ray-Induced Lithium Fluoride Formation from Water-in-salt Electrolytes on Solid Surfaces. Angewandte Chemie-International Edition https://dx.doi.org/10.1002/anie.202007745
  49. Caravaca, J. & Yeh, M. (2020). Characterization of water-based liquid scintillator for Cherenkov and scintillation separation. European Physical Journal C, 80(9) https://dx.doi.org/10.1140/epjc/s10052-020-8418-4
  50. Zhou, Y. & Frenkel, A. (2020). Ethylene Dehydroaromatization over Ga-ZSM-5 Catalysts: Nature and Role of Gallium Speciation. Angewandte Chemie-International Edition https://dx.doi.org/10.1002/anie.202007147
  51. Dispenza, C. & Wishart, J. (2020). On the nature of macroradicals formed upon radiolysis of aqueous poly(N-vinylpyrrolidone) solutions. Radiation Physics and Chemistry, 174 https://dx.doi.org/10.1016/j.radphyschem.2020.108900
  52. Yang, L. & Shadike, Z. (2020). A Co- and Ni-free P2/O3 biphasic lithium stabilized layered oxide for sodium-ion batteries and its cycling behavior. Advanced Functional Materials https://dx.doi.org/10.1002/adfm.202003364
  53. Artrith, N. & Chen, J. (2020). Predicting the Activity and Selectivity of Bimetallic Metal Catalysts for Ethanol Reforming using Machine Learning. Acs Catalysis, 10(16), 9438-9444 https://dx.doi.org/10.1021/acscatal.0c02089
  54. Rotundo, L. & Manbeck, G. (2020). Molecular Catalysts with Intramolecular Re-O Bond for Electrochemical Reduction of Carbon Dioxide. Inorganic Chemistry, 59(17), 12187-12199 https://dx.doi.org/10.1021/acs.inorgchem.0c01181
  55. Phillips, W. & Wishart, J. (2020). Design and performance of high-temperature furnace and cell holder for in-situ spectroscopic, electrochemical, and radiolytic investigations of molten salts. Review of Scientific Instruments, 91 https://dx.doi.org/10.1063/1.5140463
  56. Li, Z. & Khalifah, P. (2020). Synchrotron Operando Depth Profiling Studies of State-of-Charge Gradients in Thick Li(Ni0.8Mn0.1Co0.1)O-2 Cathode Films. Chemistry Of Materials, 32(15), 6358-6364 https://dx.doi.org/10.1021/acs.chemmater.0c00983
  57. Ye, L. & Hu, E. (2020). Toward Higher Voltage Solid-State Batteries by Metastability and Kinetic Stability Design. Advanced Energy Materials https://dx.doi.org/10.1002/aenm.202001569
  58. Bird, M. (2020). Pushing the limits of the electrochemical window with pulse radiolysis in chloroform. Physical Chemistry Chemical Physics, 22(26), 14660-14670 https://dx.doi.org/10.1039/d0cp01948h
  59. Salvatore, K. & Rodriguez, J. (2020). Optimized Microwave-based Synthesis of Thermally-Stable Inverse Catalytic Core-Shell Motifs for CO2 Hydrogenation. ACS Applied Materials & Interfaces https://dx.doi.org/10.1021/acsami.0c06430
  60. Senanayake, S. (2020). Low Temperature Activation of Methane on Metal-Oxides and Complex Interfaces: Insights from Surface Science. Accounts of Chemical Research, 53 https://dx.doi.org/10.1021/acs.accounts.0c00194
  61. Anderson, M. & Yeh, M. (2020). Measurement of neutron-proton capture in the SNO plus water phase. Physical Review C, 102(1) https://dx.doi.org/10.1103/PhysRevC.102.014002
  62. Akerib, D. & Yeh, M. (2020). Projected sensitivity of the LUX-ZEPLIN experiment to the 0 nu beta beta decay of Xe-136. Physical Review C, 102(1) https://dx.doi.org/10.1103/PhysRevC.102.014602
  63. Deng, K. & Rodriguez, J. (2020). Studies of CO2 Hydrogenation over Cobalt/Ceria Catalysts with in situ Characterization: The Effect of Cobalt Loading and Metal-Support Interactions on the Catalytic Activity. Catalysis Science & Technology https://dx.doi.org/10.1039/d0cy00962h
  64. Park, J. & Yeh, M. (2020). Performance of PMTs for the JSNS(2) experiment. Journal Of Instrumentation, 15(7) https://dx.doi.org/10.1088/1748-0221/15/07/T07003
  65. Koverga, A. & Rodriguez, J. (2020). Promoting effect of tungsten carbide on the catalytic activity of Cu for CO(2)reduction. Physical Chemistry Chemical Physics, 22(24), 13666-13679 https://dx.doi.org/10.1039/d0cp00358a
  66. Luo, C. & Hu, E. (2020). A chemically stabilized sulfur cathode for lean electrolyte lithium sulfur batteries. Proceedings of the National Academy of Sciences of the United States of America https://dx.doi.org/10.1073/pnas.2006301117
  67. Song, Y. & Bak, S. (2020). Tailoring Solution-Processable Li Argyrodites Li6+xP1-xMxS5I (M = Ge, Sn) and Their Microstructural Evolution Revealed by Cryo-TEM for All-Solid-State Batteries. Nano Letters, 20(6), 4337-4345 https://dx.doi.org/10.1021/acs.nanolett.0c01028
  68. Jin, T. & Yang, X. (2020). Realizing Complete Solid-Solution Reaction in High Sodium Content P2-Type Cathode for High-Performance Sodium-Ion Batteries. Angewandte Chemie-International Edition https://dx.doi.org/10.1002/ange.202003972
  69. Jiminez-Orozco, C. & Rodriguez, J. (2020). Critical Hydrogen Coverage Effect on the Hydrogenation of Ethylene Catalyzed by delta-MoC(001): An Ab Initio Thermodynamic and Kinetic Study. Acs Catalysis, 10(11), 6213-6222 https://dx.doi.org/10.1021/acscatal.0c00144
  70. Manbeck, G. (2020). Comprehensive Mechanisms of Electrocatalytic CO2 Reduction by [Ir(bip)(ppy)(CH3CN)](PF6)(2). Acs Catalysis, 10(11), 6497-6509 https://dx.doi.org/10.1021/acscatal.9b04371
  71. Vukmirovic, M. (2020). Copper Electrodeposition from Deep Eutectic Solvents - Voltammetric Studies Providing Insights into the Role of Substrate: Platinum vs. Glassy Carbon. The Journal of Physical Chemistry https://dx.doi.org/10.1021/acs.jpcb.0c02735
  72. Sasaki, K. (2020). Designing high performance Pt monolayer core-shell electrocatalysts for fuel cells. Current Opinion In Electrochemistry, 368-375 https://dx.doi.org/10.1016/j.coelec.2020.03.020
  73. Aubry, T. & Bird, M. (2020). Tunable Dopants with Intrinsic Counterion Separation Reveal the Effects of Electron Affinity on Dopant Intercalation and Free Carrier Production in Sequentially Doped Conjugated Polymer Films. Advanced Functional Materials https://dx.doi.org/10.1002/adfm.202001800
  74. Bird, M. (2020). General Method for Determining Redox Potentials Without Electrolyte. The Journal of Physical Chemistry A https://dx.doi.org/10.1021/acs.jpca.0c02948
  75. Chen, R. & Rodriguez, J. (2020). Template-free fabrication of fractal porous Y2O3 monolithic foam and its functional modification by Ni-doping. Science China Materials https://dx.doi.org/10.1007/s40843-020-1317-1
  76. Wang, X. (2020). The Role of Electron Localization in Covalency and Electrochemical Properties of Lithium-Ion Battery Cathode Materials. Advanced Functional Materials https://dx.doi.org/10.1002/adfm.202001633
  77. Ertem, M. (2020). Oxygen Atom Transfer as an Alternative Pathway for Oxygen- Oxygen Bond Formation. Inorganic Chemistry, 59(9), 5966-5974 https://dx.doi.org/10.1021/acs.inorgchem.9b03751
  78. Chang, Q. & Chen, J. (2020). Promoting H2O2 production via 2-electron oxygen reduction by coordinating partially oxidized Pd with defect carbon. Nature Communications, 11(1) https://dx.doi.org/10.1038/s41467-020-15843-3
  79. Shi, R. & Rodriguez, J. (2020). Preparation and Structural Characterization of ZrO2/CuOx/Cu(111) Inverse Model Catalysts. Journal of Physical Chemistry C https://dx.doi.org/10.1021/acs.jpcc.0c00852
  80. Liu, Z. & Rodriguez, J. (2020). Water-promoted interfacial pathways in methane oxidation to methanol on a CeOx-Cu2O catalyst. Science, 368, 513-516 https://dx.doi.org/10.1126/science.aba5005
  81. Song, J. & Hu, E. (2020). Controlling Surface Phase Transition and Chemical Reactivity of O3-Layered Metal Oxide Cathodes for High-Performance Na-Ion Batteries. Journal of the American Chemical Society, 5(6), 1718-1725 https://dx.doi.org/10.1021/acsenergylett.0c00700
  82. Liang, Z. & Adzic, R. (2020). Platinum and Palladium Monolayer Electrocatalysts for Formic Acid Oxidation. Topics In Catalysis https://dx.doi.org/10.1007/s11244-020-01264-5
  83. Cui, C. & Hu, E. (2020). Structure and Interface Design Enable Stable Li-Rich Cathode. Journal of the American Chemical Society https://dx.doi.org/10.1021/jacs.0c02302
  84. Xie, Z. (2020). Reactions of CO2 and ethane enable CO bond insertion for production of C3 oxygenates. Nature Communications, 11 https://dx.doi.org/10.1038/s41467-020-15849-x
  85. Luneau, M. & Frenkel, A. (2020). Enhancing catalytic performance of dilute metal alloy nanomaterials. Communications Chemistry, 3(1) https://dx.doi.org/10.1038/s42004-020-0293-2
  86. Kang, L. & Frenkel, A. (2020). Photo-thermo Catalytic Oxidation over a TiO2-WO3-Supported Platinum Catalyst. Angewandte Chemie-International Edition https://dx.doi.org/10.1002/anie.202001701
  87. Song, L. (2020). Enhancing Oxygen Reduction Performance of Pt Monolayer Catalysts by Pd(111) Nanosheets on WNi Substrate. Acs Catalysis, 10(7), 4290-4298 https://dx.doi.org/10.1021/acscatal.0c00040
  88. Ebrahim, A. & Frenkel, A. (2020). Multimodal Characterization of Materials and Decontamination Processes for Chemical Warfare Protection. Acs Applied Materials & Interfaces, 12(13), 14721-14738 https://dx.doi.org/10.1021/acsami.9b19494
  89. Grissom, T. & Frenkel, A. (2020). Metal-Organic Framework- and Polyoxometalate-Based Sorbents for the Uptake and Destruction of Chemical Warfare Agents. Acs Applied Materials & Interfaces, 12(13), 14641-14661 https://dx.doi.org/10.1021/acsami.9b20833
  90. Betancourt, L. (2020). Enhancing ORR Performance of Bimetallic PdAg Electrocatalysts by Designing Interactions between Pd and Ag. Acs Applied Energy Materials, 3(3), 2342-2349 https://dx.doi.org/10.1021/acsaem.9b01920
  91. Figueras, M. & Rodriguez, J. (2020). Boosting the activity of transition metal carbides towards methane activation by nanostructuring. Physical Chemistry Chemical Physics , 22 https://dx.doi.org/10.1039/D0CP00228C
  92. Niu, X. & Chen, J. (2020). CO2-Assisted propane aromatization over phosphorus-modified Ga/ZSM-5 catalysts. Catalysis Science & Technology, 10(6), 1881-1888 https://dx.doi.org/10.1039/c9cy02589h
  93. Tang, C. & Xie, Z. (2020). Coordination Tunes Selectivity: Two-Electron Oxygen Reduction on High-Loading Molybdenum Single-Atom Catalysts. Angewandte Chemie International https://dx.doi.org/10.1002/anie.202003842
  94. Liao, W. & Liu, P. (2020). Methanol Synthesis from CO2 Hydrogenation over a Potassium-Promoted CuxO/Cu(111) (x≤2) Model Surface: Rationalizing the Potential of Potassium in Catalysis. ACS Catalysis https://dx.doi.org/10.1021/acscatal.9b05226
  95. Li, Z. & Yang, X. (2020). Interfacial engineering for stabilizing polymer electrolytes with 4V cathodes in lithium metal batteries at elevated temperature. Nano Energy, 72 https://dx.doi.org/10.1016/j.nanoen.2020.104655
  96. Mani, T. & Grills, D. (2020). Vibrational Spectroscopy Reveals Effects of Electron Push-Pull and Solvent Polarity on Electron Delocalization in Radical Anions of Donor−Acceptor Compounds. The Journal of Physical Chemistry B https://dx.doi.org/10.1021/acs.jpcb.9b11747
  97. Yue, X. & Yang, X. (2020). Petaloid-shaped ZnO coated Carbon Felt as a Controllable Host to Construct Hierarchical Li Composite Anode. Nano Energy https://www.osti.gov/biblio/1601346
  98. Rui, N. (2020). Highly active Ni/CeO2 catalyst for CO2 methanation: Preparation and characterization. Applied Catalysis B-Environmental, 282 https://dx.doi.org/10.1016/j.apcatb.2020.119581
  99. Danielis, M. & Rodriguez, J. (2020). Methane Oxidation Activity and Nanoscale Characterization of Pd/CeO2 Catalysts Prepared by Dry Milling Pd Acetate and Ceria. Applied Catalysis B-Environmental, 282 https://dx.doi.org/10.1016/j.apcatb.2020.119567
  100. Wang, Y. & Xie, Z. (2020). Strong Evidence of the Role of H2O in Affecting Methanol Selectivity from CO2 Hydrogenation over Cu-ZnO-ZrO2. Chem, 6(2), 419-430 https://dx.doi.org/10.1016/j.chempr.2019.10.023
  101. Llobet, A. & Ertem, M. (2020). Second Coordination Sphere Effects in an Evolved Ru Complex Based on a Highly Adaptable Ligand Results in Rapid Water Oxidation Catalysis. Journal of the American Chemical Society, 142(11), 5068-5077 https://dx.doi.org/10.1021/jacs.9b11935
  102. Kang, J. & Rodriguez, J. (2020). Growth and structural studies of In/Au(111) alloys and InOx/Au(111) inverse oxide/metal model catalysts. Journal of Chemical Physics, 152(5) https://dx.doi.org/10.1063/1.5139237
  103. Hamlyn, R. & Senanayake, S. (2020). Structure and Chemical State of Cesium on Well-Defined Cu(111) and Cu2O/Cu(111) Surfaces. Journal Of Physical Chemistry C, 124(5), 3107-3121 https://dx.doi.org/10.1021/acs.jpcc.9b10608
  104. Kanega, R. & Fujita, E. (2020). CO2 Hydrogenation and Formic Acid Dehydrogenation using Ir Catalysts with Amide-Based Ligands. Organometallics https://dx.doi.org/10.1021/acs.organomet.9b00809
  105. Duchon, T. & Senanayake, S. (2020). Establishing Structure−Sensitivity of Ceria Reducibility: Real-Time Observations of Surface−Hydrogen Interactions. Journal of Materials Chemistry A https://dx.doi.org/10.1039/c9ta11784a
  106. Liu, H. & Khalifah, P. (2020). Best practices for operando depth-resolving battery experiments. Journal of Applied Crystallography, 53, 133-139 https://dx.doi.org/10.1107/S1600576719016315
  107. Liu, H. & Khalifah, P. (2020). Best Practices for Operando Depth-Resolved Battery Experiments. Journal Of Applied Crystallography, 53, 133-139 https://dx.doi.org/10.1107/S1600576719016315
  108. Wang, P. & Yang, X. (2020). Both Cationic and Anionic Redox Chemistry in a P2-Type Sodium Layered Oxide. Nano Energy https://dx.doi.org/10.1016/j.nanoen.2020.104474
  109. Gill, S. & Frenkel, A. (2020). Connections between the speciation and solubility of Ni(II) and Co(II) in molten ZnCl2. Journal of Physical Chemistry B https://dx.doi.org/10.1021/acs.jpcb.0c00195
  110. Hamlyn, R. & Rodriguez, J. (2020). Morphology and Chemical Behavior of Model CsOx/Cu2O/Cu(111) Nanocatalysts for Methanol Synthesis: Reaction with CO2 and H2. Journal of Chemical Physics, 152, 044701-1-044701-9 https://dx.doi.org/10.1063/1.5129152
  111. Ma, Z. & Wang, J. (2020). NbOx nano-nail with a Pt head embedded in carbon as a highly active and durable oxygen reduction catalyst. Nano Energy https://www.osti.gov/biblio/1582567
  112. Schatzman, S. & Cabelli, D. (2020). Copper-only superoxide dismutase enzymes and iron starvation stress in Candida fungal pathogens. Journal Of Biological Chemistry, 295(2), 570-583 https://dx.doi.org/10.1074/jbc.RA119.011084
  113. Cook, A. (2020). Dynamic Broadening Alters Triplet Extinction Coefficients in Fluorene Oligomers and Polymers. Journal of Chemical Physics , 152(2), 024901 https://dx.doi.org/10.1063/1.5132798
  114. Zhang, F. & Senanayake, S. (2020). Effects of Zr Doping into Ceria for the Dry Reforming of Methane over Ni/CeZrO2 Catalysts: In Situ Studies with XRD, XAFS, and APXPS. ACS Catalysis, (10), 3274-3284 https://dx.doi.org/10.1021/acscatal.9b04451
  115. Wang, L. & Concepcion, J. (2020). High-Redox-Potential Chromophores for Visible-Light-Driven Water Oxidation at Low pH. Acs Catalysis, 10(1), 580-585 https://dx.doi.org/10.1021/acscatal.9b04034
  116. Wang, X. (2020). Pair distribution function analysis: Fundamentals and application to battery materials. Chinese Physics B, 29, 028802-1-028802-10 https://dx.doi.org/10.1088/1674-1056/ab6656
  117. Jiang, Q. & Hu, E. (2020). A Redox-Active 2D Metal-Organic Framework for Efficient Lithium Storage with Extraordinary High Capacity. Angewandte Chemie, International edition, 59, 1-6 https://dx.doi.org/10.1002/anie.201914395

2019

  1. Rodriguez, J. (2019). Activation of Gold on Metal Carbides: Novel Catalysts for C1 Chemistry. Frontiers in Chemical Research https://www.osti.gov/biblio/1579501
  2. Sampaio, R. (2019). Unexpected Roles of Triethanolamine in the Photochemical Reduction of CO2 to Formate by Ruthenium Complexes. Journal of the American Chemical Society https://dx.doi.org/10.1021/jacs.9b11897
  3. Yin, L. & Khalifah, P. (2019). Thermodynamics of antisite defects in layered NMC cathodes: systematic insights from high-precision powder diffraction analyses. Chemistry of Materials https://dx.doi.org/10.1021/acs.chemmater.9b03646
  4. Wang, D. & Concepcion, J. (2019). Self-Assembled Chromophore-Catalyst Bilayer for Water Oxidation in a Dye-Sensitized Photoelectrosynthesis Cell. Journal Of Physical Chemistry C, 123(50), 30039-30045 https://dx.doi.org/10.1021/acs.jpcc.9b07125
  5. Aharmim, B. & Yeh, M. (2019). Cosmogenic neutron production at the Sudbury Neutrino Observatory. SNO Collaboration, 100(11) https://dx.doi.org/10.1103/PhysRevD.100.112005
  6. Alducin, M. & Camillone, N. (2019). Electrons and Phonons Cooperate in the Laser-Induced Desorption of CO from Pd(111). Physical Review Letters, 123(24) https://dx.doi.org/10.1103/PhysRevLett.123.246802
  7. Luo, L. & Hu, E. (2019). Synthesis and Properties of Stable Sub-2-nm-Thick Aluminum Nanosheets: Oxygen Passivation and Two-Photon Luminescence. Chem https://www.osti.gov/biblio/1579901
  8. Zhou, Z. & Liu, P. (2019). Interface-confined triangular FeOx nanoclusters on Pt(111). The Journal of Chemical Physics https://dx.doi.org/10.1063/1.5129266
  9. Marinkovic, N. & Adzic, R. (2019). Infrared spectroelectrochemical configurations for in situ measurements. Kretschmann configuration; Otto configuration; IRRAS, electric field; Fresnel equations, 84(11), 1235-1247 https://dx.doi.org/10.2298/JSC190828103M
  10. Zugic, B. & Frenkel, A. (2019). Evolution of steady-state material properties during catalysis: Oxidative coupling of methanol over nanoporous Ag0.03Au0.97. Journal Of Catalysis, 380, 366-374 https://dx.doi.org/10.1016/j.jcat.2019.08.041
  11. Cheng, B. & Yang, S. (2019). Photoionization studies of benzene-argon complexes with synchrotron VUV radiation. Aip Advances, 9(12) https://dx.doi.org/10.1063/1.5127120
  12. Shen, D. & Vukmirovic, M. (2019). Understanding the Role of Complexation in the Charge-Transfer Kinetics of the Cu2+ + e ↔ Cu1+ Redox Reaction in Ethaline Deep Eutectic Solvent. Journal of The Electrochemical Society https://www.osti.gov/biblio/1574915
  13. Rodriguez, J. (2019). Water-gas shift Reaction on K/Cu(111) and Cu/K/TiO2(110) Surfaces: Alkali Promotion of Water Dissociation and the Production of H2. ACS Catalysis https://www.osti.gov/biblio/1572352
  14. Gomez, E. & Chen, J. (2019). Tandem Reactions of CO2 Reduction and Ethane Aromatization. Journal Of the American Chemical Society, 141(44), 17771-17782 https://dx.doi.org/10.1021/jacs.9b08538
  15. Orozco, I. & Rodriguez, J. (2019). Hydroxylation of ZnO/Cu(111) inverse catalysts under ambient water vapor and the water-gas shift reaction. Journal of Physics D: Applied Physics, 52(45) https://dx.doi.org/10.1088/1361-6463/ab37da
  16. Guan, E. & Frenkel, A. (2019). New Role of Pd Hydride as a Sensor of Surface Pd Distributions in Pd-Au Catalysts. Chemcatchem https://dx.doi.org/10.1002/cctc.201901847
  17. Muraca, A. & White, M. (2019). Ultrafast dynamics of acetone photooxidation on TiO2(110). Journal of Chemical Physics Communications https://www.osti.gov/biblio/1572365
  18. Miller, J. (2019). The Impact of Huge Structural Changes on Electron Transfer and Measurement of Redox Potentials: Reduction of ortho-12-Carborane. Journal Of Physical Chemistry B https://www.osti.gov/biblio/1572367
  19. Ryerson, J. & Miller, J. (2019). Structure and Photophysics of Indigoids for Singlet Fission: Cibalackrot. Journal of Physical Chemistry https://www.osti.gov/biblio/1572370
  20. Liu, Y. & Frenkel, A. (2019). Mapping XANES spectra on structural descriptors of copper oxide clusters using supervised machine learning. Journal Of Chemical Physics, 151(16) https://dx.doi.org/10.1063/1.5126597
  21. Qi, K. & Liu, P. (2019). Single-atom cobalt array bound to distorted 1T MoS2 with ensemble effect for hydrogen evolution catalysis. Nature Communications, 10 https://dx.doi.org/10.1038/s41467-019-12997-7
  22. Brady, A. & Liu, P. (2019). Transition Metal Substitution of Hollandite alpha-MnO2: Enhanced Potential and Structural Stability on Lithiation from First-Principles Calculation. Journal Of Physical Chemistry C, 123(41), 25042-25051 https://dx.doi.org/10.1021/acs.jpcc.9b05376
  23. Wang, D. & Concepcion, J. (2019). Self-Assembled Chromophore−Catalyst Bilayer for Water Oxidation in a Dye-Sensitized Photoelectrosynthesis Cell. The Journal of Physical Chemistry C, 123, 30039-30045 https://dx.doi.org/10.1021/acs.jpcc.9b07125
  24. Marinkovic, N. & Sasaki, K. (2019). Determination of Single- and Multi-Component Nanoparticle Sizes by X-ray Absorption Spectroscopy. Journal Of the Electrochemical Society, 165(15), J3222-J3230 https://dx.doi.org/10.1149/2.0281815jes
  25. Holroyd, R. & Miller, J. (2019). Rate vs Free Energy Change for Attaching Highly-Mobile Electrons to Molecules in Nonpolar Liquids. Journal Of Physical Chemistry B https://www.osti.gov/biblio/1572366
  26. Yan, B. & Chen, J. (2019). Effect of oxide support on catalytic performance of FeNi-based catalysts for CO2-assisted oxidative dehydrogenation of ethane. Chemcatchem https://dx.doi.org/10.1002/cctc.201901585
  27. Yao, S. & Rodriguez, J. (2019). Exploring Metal-Support Interactions To Immobilize Subnanometer Co Clusters on gamma-Mo2N: A Highly Selective and Stable Catalyst for CO2 Activation. Acs Catalysis, 9(10), 9087-9097 https://dx.doi.org/10.1021/acscatal.9b01945
  28. Guo, H. & Liu, P. (2019). Rationalization of Diversity in Spinel MgFe2O4 Surfaces. Advanced Materials Interfaces https://dx.doi.org/10.1002/admi.201901218
  29. Prats, H. & Rodriguez, J. (2019). Kinetic Monte Carlo simulations unveil synergic effects at work on bifunctional catalysts. ACS Catalysis https://www.osti.gov/biblio/1566288
  30. Wang, T. & Shadike, Z. (2019). Anionic redox reaction in layered NaCr2/3Ti1/3S2 through electron holes formation and dimerization of S-S. Nature Communications https://www.osti.gov/biblio/1569554
  31. McKinnon, M. & Ertem, M. (2019). An Investigation of Electrocatalytic CO2 Reduction Using a Manganese Tricarbonyl Biquinoline Complex. Frontiers In Chemistry, 7 https://dx.doi.org/10.3389/fchem.2019.00628
  32. Shakya, D. & Senanayake, S. (2019). Selective Catalytic Chemistry at Rhodium(II) Nodes in Bimetallic Metal-Organic Frameworks. Angewandte Chemie-International Edition https://dx.doi.org/10.1002/anie.201908761
  33. Wang, G. & Yang, X. (2019). High Performance Lithium-ion and Lithium-Sulfur Batteries using Prelithiated Phosphorus/Carbon Composite Anode. Energy Storage Materials https://www.osti.gov/biblio/1562482
  34. Gomez, E. & Chen, J. (2019). Carbon dioxide reduction in tandem with light-alkane dehydrogenation. Nature Reviews Chemistry, 3(11), 638-649 https://dx.doi.org/10.1038/s41570-019-0128-9
  35. Deng, T. & Hu, E. (2019). Designing In-Situ-Formed Interphases Enables Highly Reversible Cobalt-Free LiNiO2 Cathode for Li-ion and Li-metal Batteries. Joule https://www.osti.gov/biblio/1566883
  36. Kottwitz, M. & Frenkel, A. (2019). Local Structure and Electronic State of Atomically Dispersed Pt Supported on Nanosized CeO2. Acs Catalysis, 9(9), 8738-8748 https://dx.doi.org/10.1021/acscatal.9b02083
  37. Li, K. & Chen, J. (2019). CO2 Hydrogenation to Methanol over ZrO2-Containing Catalysts: Insights into ZrO2 Induced Synergy. Acs Catalysis, 9(9), 7840-7861 https://dx.doi.org/10.1021/acscatal.9b01943
  38. Haselschwardt, S. & Yeh, M. (2019). A Liquid Scintillation Detector for Radioassay of Gadolinium-Loaded Liquid Scintillator for the LZ Outer Detector. Nuclear Instruments & Methods In Physics Research Section A-Accelerators Spectrometers Detectors and Associated Equipment, 937, 148-163 https://dx.doi.org/10.1016/j.nima.2019.05.055
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  40. Castner, Jr., E. & Wishart, J. (2019). Structural Analysis of Ionic Liquids With Symmetric and Asymmetric Fluorinated Anions. Journal of Chemical Physics https://www.osti.gov/biblio/1557109
  41. Luneau, M. & Frenkel, A. (2019). Dilute Pd/Au Alloy Nanoparticles Embedded in Colloid-Templated Porous SiO2 : Stable Au-Based Oxidation Catalysts. Chemistry Of Materials, 31(15), 5759-5768 https://dx.doi.org/10.1021/acs.chemmater.9b01779
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  43. Singh, N. & Ertem, M. (2019). Reactivity of bio-inspired Cu(II) (N2/Py2) complexes with peroxide at room temperature. Journal of Inorganic Biochemistry, 197 https://dx.doi.org/10.1016/j.jinorgbio.2019.03.014
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  46. Kettner, M. & Senanayake, S. (2019). Anion-mediated electronic effects in reducible oxides: Tuning the valence band of ceria via fluorine doping. The Journal of Chemical Physics, 151 https://dx.doi.org/10.1063/1.5109955
  47. Jimenez-Orozco, C. & Rodriguez, J. (2019). Binding and activation of ethylene on Tungsten carbide and Platinum surfaces. Physical Chemistry Chemical Physics https://dx.doi.org/10.1039/C9CP03214B
  48. Cao, M. & Shadike, Z. (2019). Sodium Storage Property and Mechanism of NaCr1/4Fe1/4Ni1/4Ti1/4O2 Cathode at Various Cut-off Voltage. Energy Storage Materials https://dx.doi.org/10.1016/j.ensm.2019.07.022
  49. Zhang, H. & Liu, P. (2019). Mo6S8-Based Single-Metal-Atom Catalysts for Direct Methane to Methanol Conversion. Journal of Chemical Physics https://www.osti.gov/biblio/1530524
  50. Li, S. & Hu, E. (2019). Surface-to-bulk redox coupling through thermally-driven Li redistribution in Li- and Mn-rich layered cathode materials. Journal of the American Chemical Society https://www.osti.gov/biblio/1542786
  51. Horne, G. & Cook, A. (2019). 31P NMR Study of the Activated Radioprotection Mechanism of Octylphenyl-N,N-diisobutylcarbamoylmethyl Phosphine Oxide (CMPO) and Analogues. Dalton Transactions https://dx.doi.org/10.1039/C9DT01950B
  52. Coaty, C. & Khalifah, P. (2019). Morphological Tuning of Nanoporous Metals Prepared with Conversion Reaction Synthesis via Thermal Annealing. Journal of Physical Chemistry C, 123, 17873-17883 https://dx.doi.org/10.1021/acs.jpcc.9b04172
  53. Kim, S. & Bak, S. (2019). Reversible Conversion Reactions and Small First Cycle Irreversible Capacity Loss in Metal Sulfide-Based Electrodes Enabled by Solid Electrolytes. Advanced Functional Materials, 29(27) https://dx.doi.org/10.1002/adfm.201901719
  54. Jimenez-Orozco, C. & Rodriguez, J. (2019). Platinum vs transition metal carbide surfaces as catalysts for olefin and alkyne conversion: binding and hydrogenation of ethylidyne. 6Th National Conference On Engineering Physics and the 1St International Conference On Applied Physics Engineering & Innovation, 1247 https://dx.doi.org/10.1088/1742-6596/1247/1/012003
  55. Jimenez-Orozco, C. & Rodriguez, J. (2019). Platinum vs transition metal carbide surfaces as catalysts for olefin and alkyne conversion: binding and hydrogenation of ethylidyne. Journal of Physics: Conference Series, 1247 https://dx.doi.org/10.1088/1742-6596/1247/1/012003
  56. Zhang, J. & Hu, E. (2019). Trace doping of multiple elements enables stable battery cycling of LiCoO2 at 4.6 V. Nature Energy https://www.osti.gov/biblio/1529891
  57. Qiu, Q. & Shadike, Z. (2019). Improving the Electrochemical Performance and Structural Stability of LiNi0.8Co0.15Al0.05O2 Cathode Material at High Voltage Charging through Ti Substitution. ACS Applied Materials & Interfaces https://www.osti.gov/biblio/1526693
  58. Yuan, Z. & Bak, S. (2019). Activating Layered Double Hydroxide with Multivacancies by Memory Effect for Energy-Efficient Hydrogen Production at Neutral pH. ACS Energy Letters, 4(6), 1412-1418 https://dx.doi.org/10.1021/acsenergylett.9b00867
  59. Zhang, Z. & Yao, S. (2019). CuZnCoOx multifunctional catalyst for in situ hydrogenation of 5-hydroxymethylfurfural with ethanol as hydrogen carrier. Journal Of Catalysis, 373, 314-321 https://dx.doi.org/10.1016/j.jcat.2019.04.011
  60. Takasugi, S. & Fujita, E. (2019). Significance of an anion effect in the selective oxidation of Ce3+ to Ce4+ over a porous WO3 photoanode. ElectroChimica Acta, 307, 369-374 https://dx.doi.org/10.1016/j.electacta.2019.03.178
  61. Marinkovic, N. & Adzic, R. (2019). Pt-Based Catalysts for Electrochemical Oxidation of Ethanol. Topics In Current Chemistry, 377(3) https://dx.doi.org/10.1007/s41061-019-0236-5
  62. Yan, B. & Chen, J. (2019). Tuning CO2 hydrogenation selectivity via metal-oxide interfacial sites. Journal Of Catalysis, 374, 60-71 https://dx.doi.org/10.1016/j.jcat.2019.04.036
  63. Gill, S. & Sasaki, K. (2019). Quantitative Nanoscale 3D Imaging of Intergranular Corrosion of 304 Stainless Steel Using Hard X-Ray Nanoprobe. Journal of the Electrochemical Society, 166(11), C3320-C3325 https://dx.doi.org/10.1149/2.0401911jes
  64. Liu, H. & Lin, R. (2019). Elucidating the Limit of Li Insertion into the Spinel Li4Ti5O12. ACS Materials Letters https://www.osti.gov/biblio/1529890
  65. Wang, L. & Concepcion, J. (2019). Self-Assembled Bilayers as an Anchoring Strategy: Catalysts, Chromophores, and Chromophore-Catalyst Assemblies. Journal Of the American Chemical Society, 141(20), 8020-8024 https://dx.doi.org/10.1021/jacs.9b01044
  66. Liu, D. & Shadike, Z. (2019). Review of Recent Development of in situ/operando Characterization Techniques for Lithium Battery Research. Advanced Materials https://www.osti.gov/biblio/1507700
  67. Li, M. & Adzic, R. (2019). Platinum monolayer electrocatalysts for methanol oxidation. Journal of The Electrochemical Society, 166(7) https://dx.doi.org/10.1149/2.0321907jes
  68. Winter, L. & Chen, J. (2019). Elucidating the roles of metallic Ni and oxygen vacancies in CO2 hydrogenation over Ni/CeO2 using isotope exchange and in situ measurements. Applied Catalysis B: Environmental, 245, 360-366 https://dx.doi.org/10.1016/j.apcatb.2018.12.069
  69. Song, B. & Hu, E. (2019). Understanding the Low Voltage Hysteresis of Anionic Redox in Na2Mn3O7. Chemistry of Materials https://www.osti.gov/biblio/1512261
  70. Wang, J. & Chen, J. (2019). Enhancing Activity and Reducing Cost for Electrochemical Reduction of CO2 by Supporting Palladium on Metal Carbides. Angewandte Chemie International Edition, 58(19), 6271-6275 https://dx.doi.org/10.1002/anie.201900781
  71. Tian, Y. & Frenkel, A. (2019). Correlated Multimodal Approach Reveals Key Details of Nerve-Agent Decomposition by Single-Site Zr-Based Polyoxometalates. Journal of Physical Chemistry Letters, 10(9), 2295-2299 https://dx.doi.org/10.1021/acs.jpclett.9b01002
  72. Liu, D. & Yang, X. (2019). Evolution of Solid Electrolyte Interface (SEI) on TiO2 electrodes in Aqueous Li ion Battery Studied Using Scanning Electrochemical Microscopy. The Journal of Physical Chemistry C https://www.osti.gov/biblio/1514711
  73. Zhou, Y. & Liang, Z. (2019). Unveiling the Interfacial Effects for Enhanced Hydrogen Evolution Reaction on MoS2/WTe2 Hybrid Structures. Small, 15(19) https://dx.doi.org/10.1002/smll.201900078
  74. Guo, Z. & Yeh, M. (2019). Slow liquid scintillator candidates for MeV-scale neutrino experiments. Astroparticle Physics, 109, 33-40 https://dx.doi.org/10.1016/j.astropartphys.2019.02.001
  75. Cumming, J. (2019). Improving light yield measurements for low-yield scintillators. Nuclear Instruments & Methods In Physics Research Section A-Accelerators Spectrometers Detectors and Associated Equipment, 925, 1-5 https://dx.doi.org/10.1016/j.nima.2019.01.014
  76. Shadike, Z. (2019). Synthesis and Characterization of a Molecularly Designed High Performance Organodisulfide as Cathode Material for Lithium Batteries. Advanced Energy Materials https://www.osti.gov/biblio/1507114
  77. Bross, D. & Yu, H. (2019). Active Thermochemical Tables: The Partition Function of Hydroxymethyl (CH2OH) Revisited. Journal of Physical Chemistry A https://www.osti.gov/biblio/1508523
  78. Matheu, R. & Ertem, M. (2019). The development of molecular water oxidation catalysts. Nature Chemistry https://www.osti.gov/biblio/1529883
  79. Gong, M. & Lin, R. (2019). One-Nanometer-Thick Pt3Ni Bimetallic Alloy Nanowires Advanced Oxygen Reduction Reaction: Integrating Multiple Advantages into One Catalyst. Acs Catalysis, 9(5), 4488-4494 https://dx.doi.org/10.1021/acscatal.9b00603
  80. Lymar, S. & Polyansky, D. (2019). Hydrogen Bonding between Hydroxylic Donors and MLCT-Excited Ru(bpy)2(bpz)2+ Complex: Implications for Photoinduced Electron-Proton Transfer. Chemical Communications, (42) https://dx.doi.org/10.1039/C9CC01896D
  81. Zhao, P. & White, M. (2019). Ultrafast extreme ultraviolet photoemission without space charge. Xxi International Conference On Ultrafast Phenomena 2018 (Up 2018), 205 https://dx.doi.org/10.1051/epjconf/201920502014
  82. Koverga, A. & Rodriguez, J. (2019). CO, CO2, and H-2 Interactions with (0001) and (001) Tungsten Carbide Surfaces: Importance of Carbon and Metal Sites. Journal of Physical Chemistry C, 123(14), 8871-8883 https://dx.doi.org/10.1021/acs.jpcc.8b11840
  83. Matsubara, Y. & Grills, D. (2019). Thermodynamic Cycles Relevant to Hydrogenation of CO2 to Formic Acid in Water and Acetonitrile. Chemistry Letters https://www.osti.gov/biblio/1507111
  84. Lin, R. (2019). Anomalous metal segregation in lithium-rich material provides design rules for stable cathode in lithium-ion battery. Nature Communications https://www.osti.gov/biblio/1507699
  85. Rodriguez, J. (2019). Potassium-Promoted Reduction of Cu2O/Cu(111) by CO. Journal of Physical Chemistry C, 123(13), 8057-8066 https://dx.doi.org/10.1021/acs.jpcc.8b07403
  86. Senanayake, S. (2019). Highly Active Ceria-Supported Ru Catalyst for the Dry Reforming of Methane: In Situ Identification of Ru delta+-Ce3+ Interactions for Enhanced Conversion. Acs Catalysis, 9(4), 3349-3359 https://dx.doi.org/10.1021/acscatal.8b05162
  87. Zhao, E. & Yang, X. (2019). Exploring reaction dynamics in lithium-sulfur batteries by time-resolved operando sulfur K-edge X-ray absorption spectroscopy. Chemical Communications https://www.osti.gov/biblio/1507701
  88. Yue, X. & Yang, X. (2019). Wettable carbon felt framework for high loading Li-metal composite anode. Nano Energy https://www.osti.gov/biblio/1502810
  89. Mao, Y. & Yang, X. (2019). High-voltage Charging Induced Strain, Heterogeneity, and Micro-cracks in Secondary Particles of a Nickel-rich Layered Cathode Material. Advanced Functional Materials https://www.osti.gov/biblio/1498873
  90. Zhang, S. & Frenkel, A. (2019). Effects of Molecular and Electronic Structures in CoOx/CeO2 Catalysts on NO Reduction by CO. Journal Of Physical Chemistry C, 123(12), 7166-7177 https://dx.doi.org/10.1021/acs.jpcc.8b12442
  91. McKinnon, M. & Grills, D. (2019). Synergistic Metal-Ligand Redox Cooperativity for Electrocatalytic CO2 Reduction Promoted by a Ligand-Based Redox Couple in Mn and Re Tricarbonyl Complexes. Organometallics, 38(6), 1317-1329 https://dx.doi.org/10.1021/acs.organomet.8b00584
  92. Lockhart, J. & Hall, G. (2019). Kinetic Study of the OH + Ethylene Reaction using Frequency Modulated Laser Absorption Spectroscopy. International Journal of Chemical Kinetics https://www.osti.gov/biblio/1501591
  93. Wang, Y. & Chen, J. (2019). Exploring the ternary interactions in Cu-ZnO-ZrO2 catalysts for efficient CO2 hydrogenation to methanol. Nature Communications, 10 https://dx.doi.org/10.1038/s41467-019-09072-6
  94. Prats, H. & Rodriguez, J. (2019). Room Temperature Methane Capture and Activation by Ni Clusters Supported on TiC(001): Effects of Metal-Carbide Interactions on the Cleavage of the C-H Bond. Journal of the American Chemical Society https://dx.doi.org/10.1021/jacs.8b13552
  95. Yan, Y. & Bak, S. (2019). Confinement of Ultrasmall Cobalt Oxide Clusters within Silicalite-1 Crystals for Efficient Conversion of Fructose into Methyl Lactate. Acs Catalysis, 9(3), 1923-1930 https://dx.doi.org/10.1021/acscatal.8b03230
  96. Rodriguez, J. (2019). The behavior of inverse oxide/metal catalysts: CO oxidation and water-gas shift reactions over ZnO/Cu(111) surfaces. Surface Science, 681, 116-121 https://dx.doi.org/10.1016/j.susc.2018.09.008
  97. Matheu, R. & Ertem, M. (2019). FOCUS REVIEW - Seven Coordinated Molecular Ru-Water Oxidation Catalysts: a Coordination Chemistry Journey. Chemical Reviews https://www.osti.gov/biblio/1497379
  98. Chem, L. & Hu, E. (2019). Achieving High Energy Density through Increasing the Output Voltage: A Highly Reversible 5.3 V Battery. Chem https://www.osti.gov/biblio/1501611
  99. Gunthardt, C. & Hall, G. (2019). Anomalous intensities in the 2+1 REMPI spectrum of the E 1Π ‐ X 1Σ+ transition of CO. Journal of Physical Chemistry A https://www.osti.gov/biblio/1498862
  100. Aharmim, B. & Yeh, M. (2019). Constraints on neutrino lifetime from the Sudbury Neutrino Observatory. Physical Review D, 99(3) https://dx.doi.org/10.1103/PhysRevD.99.032013
  101. Liu, J. & Yang, X. (2019). Pathways for practical high-energy long-cycling lithium metal batteries. Nature Energy https://www.osti.gov/biblio/1498872
  102. Anderson, M. & Yeh, M. (2019). Search for invisible modes of nucleon decay in water with the SNO plus detector. Physical Review D, 99(9) https://dx.doi.org/10.1103/PhysRevD.99.032008
  103. Vovchok, D. (2019). Location and chemical speciation of Cu in ZSM-5 during the water-gas shift reaction. Catalysis Today, 323, 216-224 https://dx.doi.org/10.1016/j.cattod.2018.07.049
  104. Mudiyanselage, K. & Senanayake, S. (2019). XPS and NEXAFS study of the reactions of acetic acid and acetaldehyde over UO2(100) thin film. Surface Science, 680, 107-112 https://dx.doi.org/10.1016/j.susc.2018.10.017
  105. Singh, H. & Frenkel, A. (2019). Identification of dopant site and its effect on electrochemical activity in Mn-doped Lithium Titanate. The Royal Society of Chemistry https://www.osti.gov/biblio/1493188
  106. Burke, J. & Bird, M. (2019). Energetics and Escape of Interchain-Delocalized Ion Pairs in Nonpolar Media. Advanced Materials https://dx.doi.org/10.1002/adma.201806863
  107. Anderson, M. & Yeh, M. (2019). Measurement of the B-8 solar neutrino flux in SNO plus with very low backgrounds. Physical Review D, 99(1) https://dx.doi.org/10.1103/PhysRevD.99.012012
  108. Lopez Camara, A. & Rodriguez, J. (2019). Novel manganese-promoted inverse CeO2/CuO catalyst: In situ characterization and activity for the water-gas shift reaction. Catalysis Today https://www.osti.gov/biblio/1489744
  109. Wolf, T. & Frenkel, A. (2019). Endogenous Dynamic Nuclear Polarization for Natural Abundance O-17 and Lithium NMR in the Bulk of Inorganic Solids. Journal Of the American Chemical Society, 141(1), 451-462 https://dx.doi.org/10.1021/jacs.8b11015
  110. Taifan, W. & Frenkel, A. (2019). Operando Structure Determination of Cu and Zn on Supported MgO/SiO2 Catalysts during Ethanol Conversion to 1,3-Butadiene. Acs Catalysis, 9(1), 269-285 https://dx.doi.org/10.1021/acscatal.8b03515
  111. Timoshenko, J. & Frenkel, A. (2019). Probing Atomic Distributions in Mono- and Bimetallic Nanoparticles by Supervised Machine Learning. Nano Letters, 19(1), 520-529 https://dx.doi.org/10.1021/acs.nanolett.8b04461
  112. Badiei, Y. & Concepcion, J. (2019). Rapid identification of homogeneous O-2 evolution catalysts and comparative studies of Ru(II)-carboxamides vs. Ru(II)-carboxylates in water-oxidation. Journal Of Catalysis, 369, 10-20 https://dx.doi.org/10.1016/j.jcat.2018.10.009
  113. Luo, Q. & Yao, S. (2019). Cobalt nanoparticles confined in carbon matrix for probing the size dependence in Fischer-Tropsch synthesis. Journal Of Catalysis, 369, 143-156 https://dx.doi.org/10.1016/j.jcat.2018.11.002

2018

  1. Matyushov, D. & Newton, M. (2018). Thermodynamics of Reactions Affected by Medium Reorganization. Journal Of Physical Chemistry B, 122(51), 12302-12311 https://dx.doi.org/10.1021/acs.jpcb.8b08865
  2. Aharmim, B. & Yeh, M. (2018). Tests of Lorentz invariance at the Sudbury Neutrino Observatory. Physical Review D, 98(11) https://dx.doi.org/10.1103/PhysRevD.98.112013
  3. Zhang, F. & Senanayake, S. (2018). Reaction of Methane with MOx/CeO2 (M = Fe, Ni, and Cu) Catalysts: In Situ Studies with Time-Resolved X-ray Diffraction. Journal Of Physical Chemistry C, 122(50), 28739-28747 https://dx.doi.org/10.1021/acs.jpcc.8b09319
  4. Yun, S. & Bak, S. (2018). Rational Design of Hierarchically Open-Porous Spherical Hybrid Architectures for Lithium Ion Batteries. Advanced Energy Materials https://www.osti.gov/biblio/1485779
  5. Wang, Q. & Shadike, Z. (2018). Tuning P2-Structured Cathode Material by Na-Site Mg Substitution for Na-Ion Batteries. Journal of the American Chemical Society https://www.osti.gov/biblio/1488528
  6. Cook, A. (2018). Electron Transport with Mobility, μ > 86 cm2/Vs, in a 74 nm Long Polyfluorene.. Journal of Physical Chemistry Letters https://www.osti.gov/biblio/1489352
  7. Pinero, J. & Rodriguez, J. (2018). Diversity of Adsorbed Hydrogen on the TiC (001) Surface at High Coverages. Journal of Physical Chemistry https://www.osti.gov/biblio/1484881
  8. Rodriguez, J. (2018). Growth, Structure and Catalytic Properties of ZnOx Grown on CuOx/Cu(111) Surfaces. Journal of Physical Chemistry C https://www.osti.gov/biblio/1484882
  9. Hsieh, Y. & Polyansky, D. (2018). Modification of CO2 Reduction Activity of Nanostructured Silver Electrocatalysts by Surface Halide Anions. ACS Appl. Energy Mater. https://dx.doi.org/10.1021/acsaem.8b01692
  10. Song, B. & Hu, E. (2018). A Novel P3-type Na2/3Mg1/3Mn2/3O2 as High Capacity Sodium-Ion Cathode Using Reversible Oxygen Redox. Journal of Material Chemistry A https://www.osti.gov/biblio/1485260
  11. Goulas, K. & Chen, J. (2018). Spectroscopic characterization of a highly selective NiCu3/C hydrodeoxygenation catalyst. Catalysis Science & Technology, 8(23), 6100-6108 https://dx.doi.org/10.1039/c8cy01280f
  12. Yan, B. & Chen, J. (2018). Highly active subnanometer Rh clusters derived from Rh-doped SrTiO3 for CO2 reduction. Applied Catalysis B-Environmental , 2374, 1003-1011 https://dx.doi.org/10.1016/j.apcatb.2018.06.074
  13. Li, Y. & Bak, S. (2018). Native Vacancy Enhanced Oxygen Redox Reversibility and Structural Robustness. Advanced Energy Materials https://www.osti.gov/biblio/1491135
  14. Huang, P. & Frenkel, A. (2018). Selective CO2 Reduction Catalyzed by Single Cobalt Sites on Carbon Nitride under Visible-Light Irradiation. Journal Of the American Chemical Society, 140(47), 16042-16047 https://dx.doi.org/10.1021/jacs.8b10380
  15. Zhu, J. & Senanayake, S. (2018). Insights into CO2 adsorption and chemical fixation properties of VPI-100 metal-organic frameworks. Journal Of Materials Chemistry A, 6(44), 22195-22203 https://dx.doi.org/10.1039/c8ta06383d
  16. Cabelli, D. (2018). Superoxide Dismutase Mimics: Redox activity goes organic. News and Views in Nature Chemistry, 1173-1175 https://www.osti.gov/biblio/1491151
  17. Hu, J. & Sasaki, K. (2018). Determination of Hydrogen Oxidation Reaction Mechanism Based on Pt-H-ad Energetics in Alkaline Electrolyte. Journal Of the Electrochemical Society, 165(15), J3355-J3362 https://dx.doi.org/10.1149/2.0471815jes
  18. Xie, Z. (2018). Dry reforming of methane over CeO2-supported Pt-Co catalysts with enhanced activity. Applied Catalysis B-Environmental, 236, 280-293 https://dx.doi.org/10.1016/j.apcatb.2018.05.035
  19. Liu, C. & Wang, J. (2018). Favorable Core/Shell Interface within Co2P/Pt Nanorods for Oxygen Reduction Electrocatalysis. Nano Letters https://dx.doi.org/10.1021/acs.nanolett.8b03666
  20. Chen, G. & Sasaki, K. (2018). Correlating the electrocatalytic stability of platinum monolayer catalysts with their structural evolution in the oxygen reduction reaction. Journal Of Materials Chemistry A, 6(42), 20725-20736 https://dx.doi.org/10.1039/c8ta06686h
  21. Rong, X. & Hu, E. (2018). Anionic Redox Reaction-Induced High-Capacity and Low-Strain Cathode with Suppressed Phase Transition. Joule https://dx.doi.org/10.1016/j.joule.2018.10.022
  22. Wang, W. & Shadike, Z. (2018). Synthesis and electrochemical properties of Li1.3Nb0.3Cr0.4O2 as a high-capacity cathode material for rechargeable Lithium batteries. Chemical Communications https://dx.doi.org/10.1039/C8CC07660J
  23. Ning, J. & Frenkel, A. (2018). Controlling Anisotropic Growth of Colloidal ZnSe Nanostructures. Journal Of the American Chemical Society, 140(44), 14627-14637 https://dx.doi.org/10.1021/jacs.8b05941
  24. Lee, J. & Chen, J. (2018). Understanding the Role of Functional Groups in Polymeric Binder for Electrochemical Carbon Dioxide Reduction on Gold Nanoparticles. Advanced Functional Materials, 28(45) https://dx.doi.org/10.1002/adfm.201804762
  25. Okoli, C. & Sasaki, K. (2018). Highly Dispersed Carbon Supported PdNiMo Core with Pt Monolayer Shell Electrocatalysts for Oxygen Reduction Reaction. ECS Transactions , 85(12), 67-89 https://dx.doi.org/10.1149/08512.0067ecst
  26. Song, L. & Vukmirovic, M. (2018). Enhanced Oxygen Reduction Reaction Activity on Pt-Monolayer-Shell PdIr/Ni-core Catalysts. Journal of The Electrochemical Society https://www.osti.gov/biblio/1480984
  27. Onishi, N. & Fujita, E. (2018). Carbon Dioxide Hydrogenation and Formic Acid Dehydrogenation Catalyzed by Iridium Complexes Bearing Pyridyl-pyrazole Ligands: Effect of an Electron-donating Substituent on the Pyrazole Ring on the Catalytic Activity and Durability. Advance Synthesis and Catalysis https://www.osti.gov/biblio/1489353
  28. Gao, D. & Chen, J. (2018). Activity and Selectivity Control in CO2 Electroreduction to Multicarbon Products over CuOx Catalysts via Electrolyte Design. Acs Catalysis, 8(11), 10012-10020 https://dx.doi.org/10.1021/acscatal.8b02587
  29. Rong, X. & Hu, E. (2018). Anionic Redox Reaction Induced High-Capacity and Low-Strain Cathode with Suppressed Phase-Transition. Joule https://www.osti.gov/biblio/1477970
  30. Vovchok, D. (2018). Structural and chemical state of doped and impregnated mesoporous Ni/CeO2 catalysts for the water-gas shift. Applied Catalysis A-General, 567, 1-11 https://dx.doi.org/10.1016/j.apcata.2018.08.026
  31. Polyansky, D. (2018). Solvent-dependent transition from concerted electron-proton to proton transfer in photoinduced reactions between phenols and polypyridine Ru complexes with proton-accepting sites. Dalton Transactions, (47), 15917-15928 https://dx.doi.org/10.1039/C8DT03858A
  32. Yang, X. & Chen, J. (2018). Mechanistic Insights into Electrochemical Nitrogen Reduction Reaction on Vanadium Nitride Nanoparticles. Journal Of the American Chemical Society, 140(41), 13387-13391 https://dx.doi.org/10.1021/jacs.8b08379
  33. Maroney, M. & Cabelli, D. (2018). The Role of Mixed Amine/Amide Ligation in Nickel Superoxide Dismutase. Inorganic Chemistry https://www.osti.gov/biblio/1476287
  34. Jiang, Z. & Chen, J. (2018). Pt-modified TaC as an efficient electrocatalyst for ethanol oxidation in acid and alkaline electrolytes. Applied Catalysis B-Environmental, 234, 329-336 https://dx.doi.org/10.1016/j.apcatb.2018.04.052
  35. Matyushov, D. & Newton, M. (2018). Q-model of electrode reactions: altering force constants of intramolecular vibrations. Physical Chemistry Chemical Physics, 20(37), 24176-24185 https://dx.doi.org/10.1039/c8cp03759k
  36. Lin, Z. & Chen, J. (2018). Cobalt-modified molybdenum carbide as a selective catalyst for hydrodeoxygenation of furfural. Applied Catalysis B-Environmental, 233, 160-166 https://dx.doi.org/10.1016/j.apcatb.2018.03.113
  37. Wang, F. & Hu, E. (2018). Rechargeable Aqueous Zn2+ Battery with High Power Density and Long Cycle-life. Energy & Environmental Science https://www.osti.gov/biblio/1476764
  38. Khalifah, P. (2018). Extending the limits of powder diffraction analysis: diffraction parameter space, occupancy defects, and atomic form factors. Review of Scientific Instruments https://www.osti.gov/biblio/1469791
  39. Twagirayezu, S. & Hall, G. (2018). Frequency measurements and self-broadening of sub-Doppler transitions in the v1 + v3 band of C2H2. Journal of Chemical Physics https://www.osti.gov/biblio/1473639
  40. Yue, X. & Yang, X. (2018). CoO nanofiber decorated nickel foams as lithium dendrite suppressing host skeletons for high energy lithium metal batteries. Energy Storage Materials https://www.osti.gov/biblio/1473663
  41. Mani, T. & Grills, D. (2018). Nitrile Vibration Reports Induced Electric Field and Delocalization of Electron in Charge-Transfer State of Aryl Nitriles. Journal of Physical Chemistry A https://www.osti.gov/biblio/1473657
  42. Xu, S. & Hu, E. (2018). Suppressing the Voltage Decay of Low-Cost P2-Type Iron Based Cathode Materials for Sodium-ion Batteries. Journal of Materials Chemistry A https://www.osti.gov/biblio/1476275
  43. Timoshenko, J. & Frenkel, A. (2018). Subnanometer Substructures in Nanoassemblies Formed from Clusters under a Reactive Atmosphere Revealed Using Machine Learning. Journal Of Physical Chemistry C, 122(37), 21686-21693 https://dx.doi.org/10.1021/acs.jpcc.8b07952
  44. Song, L. & Wang, J. (2018). Temperature-Dependent Kinetics and Reaction Mechanism of Ammonia Oxidation on Pt, Ir, and PtIr Alloy Catalysts. Journal of Electrochemical Society , 165(15) https://www.osti.gov/biblio/1473653
  45. Lockhart, J. & Hall, G. (2018). Investigating the Photodissociation of H2O2 using Frequency Modulation Laser Absorption Spectroscopy to Monitor Radical Products. Chemical Physics Letters, 711, 1-7 https://dx.doi.org/10.1016/j.cplett.2018.09.004
  46. Liu, S. & Liu, P. (2018). Optimized Pt-based Catalysts for Oxygen Reduction Reaction in Alkaline Solution: A First Principle Study. Journal of the electrochemical Society, 165(15), J3090-J3094 https://dx.doi.org/10.1149/2.0171815jes
  47. Wang, L. & Chen, J. (2018). Insight into the Synergistic Effect between Nickel and Tungsten Carbide for Catalyzing Urea Electrooxidation in Alkaline Electrolyte. Applied Catalysis B-Environmental, 232, 365-370 https://dx.doi.org/10.1016/j.apcatb.2018.03.064
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  50. Concepcion, J. (2018). O-O Radical Coupling: From Detailed Mechanistic Understanding to Enhanced Water Oxidation Catalysis. Inorganic Chemistry, 57(17), 10533-10542 https://dx.doi.org/10.1021/acs.inorgchem.8b00329
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  52. Corder, C. & White, M. (2018). Ultrafast extreme ultraviolet photoemission without space charge. Structural Dynamics, 5(5) https://dx.doi.org/10.1063/1.5045578
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  57. Hu, E. (2018). Evolution of redox couples in Li- and Mn-rich cathode materials and mitigation of voltage fade by reducing oxygen release. Nature Energy https://www.osti.gov/biblio/1460715
  58. Lei, W. & Rodriguez, J. (2018). Hybrid 0D-2D black phosphorus quantum dots-graphitic carbon nitride nanosheets for efficient hydrogen evolution. Nano Energy, 50, 552-561 https://dx.doi.org/10.1016/j.nanoen.2018.06.001
  59. Wang, F. & Shadike, Z. (2018). How Water Accelerates Bivalent Ion Diffusion at the Electrolyte/Electrode Interface. Angewandte Chemie https://dx.doi.org/10.1002/anie.201806748
  60. Grills, D. (2018). Mechanistic Aspects of CO2 Reduction Catalysis with Manganese-Based Molecular Catalysts. Coordination Chemistry Reviews https://www.osti.gov/biblio/1460701
  61. Liu, J. & Khalifah, P. (2018). Li3VP3O9N as a Multielectron Redox Cathode for Li-Ion Battery. Chemistry Of Materials, 30(14), 4609-4616 https://dx.doi.org/10.1021/acs.chemmater.8b01114
  62. Piao, J. & Yang, X. (2018). Stabilizing Cathode Materials of Lithium Ion Batteries by Controlling Interstitial Sites on the Surface. Chem https://www.osti.gov/biblio/1466634
  63. Bak, S. (2018). In situ/operando synchrotron-based X-ray techniques for lithium-ion battery research. NPG Asia Materials https://www.osti.gov/biblio/1454825
  64. Cai, Z. & Bak, S. (2018). Introducing Fe2+ into Nickel-Iron Layered Double Hydroxide: Local Structure Modulated Water Oxidation Activity. Angew Chem https://www.osti.gov/biblio/1454823
  65. Schneider, T. & Ertem, M. (2018). [RuII(tpy)(bpy)Cl]+-Catalyzed Reduction of Carbon Dioxide. Mechanistic Insights by Carbon-13 Kinetic Isotope Effect. Chemical Communications https://dx.doi.org/10.1039/C8CC03009J
  66. Zhao, B. & Chen, J. (2018). High selectivity of CO2 hydrogenation to CO by controlling the valence state of nickel using perovskite. Chemical Communications, 54(53), 7354-7357 https://dx.doi.org/10.1039/c8cc03829e
  67. Wang, J. & Chen, J. (2018). L-Phenylalanine-Templated Platinum Catalyst with Enhanced Performance for Oxygen Reduction Reaction. Acs Applied Materials & Interfaces, 10(25), 21321-21327 https://dx.doi.org/10.1021/acsami.8b04578
  68. Carrillo, P. & White, M. (2018). In-Situ Formation of FeRh Nanoalloys for Oxygenate Synthesis. ACS Catalysis , 7279-7286 https://dx.doi.org/10.1021/acscatal.8b02235
  69. Lin, Z. & Chen, J. (2018). Hydrodeoxygenation of biomass-derived oxygenates over metal carbides: from model surfaces to powder catalysts. Green Chemistry, 20(12), 2679-2696 https://dx.doi.org/10.1039/c8gc00239h
  70. Lin, L. & Rodriguez, J. (2018). In-situ Characterization of Cu/CeO2 Nanocatalysts for CO2 Hydrogenation: Morphological Effects of Nanostructured Ceria on the Catalytic Activity. Journal of Physical Chemistry C https://www.osti.gov/biblio/1440347
  71. Lustemberg, P. & Rodriguez, J. (2018). Direct Conversion of Methane to Methanol on Ni-Ceria Surfaces: Metal-Support Interactions and Water-enabled Catalytic Conversion by Site Blocking. Journal of the American Chemical Society https://www.osti.gov/biblio/1440348
  72. Matheu, R. & Ertem, M. (2018). The Behavior of the Ru-bda Water Oxidation Catalysts at Low Oxidation States. Chemistry A European Journal https://www.osti.gov/biblio/1460704
  73. Miyase, Y. & Fujita, E. (2018). Modification of BiVO4/WO3 composite photoelectrodes with Al2O3 via chemical vapor deposition for highly efficient oxidative H2O2 production from H2O. Sustainable Energy & Fuels, RSC https://dx.doi.org/10.1039/C8SE00070K
  74. Yao, S. (2018). Combining CO2 Reduction with Ethane Oxidative Dehydrogenation by Oxygen-Modification of Molybdenum Carbide. Acs Catalysis, 8(6), 5374-5381 https://dx.doi.org/10.1021/acscatal.8b00541
  75. Lapp, A. & Frenkel, A. (2018). Experimental and Theoretical Structural Investigation of AuPt Nanoparticles Synthesized using a Direct Electrochemical Method. Jacs https://www.osti.gov/biblio/1436448
  76. Rodriguez, J. (2018). Imaging the Ordering of a Weakly Adsorbed Two-Dimensional Condensate: Ambient-Pressure Microscopy and Spectroscopy of CO2 Molecules on Rutile TiO2(110). Physical Chemistry Chemical Physics https://www.osti.gov/biblio/1436267
  77. Fan, X. & Hu, E. (2018). High Energy-Density and Reversibility of Iron Fluoride Cathode Enabled Via an Intercalation-Extrusion Reaction. Nature Communications https://www.osti.gov/biblio/1436283
  78. Liu, J. & Hu, E. (2018). Large scale synthesis and comprehensive structure study of δ-MnO2. Inorganic Chemistry https://dx.doi.org/10.1021/acs.inorgchem.8b00461
  79. Eren, B. & Liu, Z. (2018). Structure of Copper-Cobalt Surface Alloys in Equilibrium with Carbon Monoxide Gas. Journal Of the American Chemical Society, 140(21), 6575-6581 https://dx.doi.org/10.1021/jacs.7b13621
  80. Timoshenko, J. & Frenkel, A. (2018). Neural network approach for characterizing structural transformations by X-ray absorption fine structure. Phys. Rev. Letters https://www.osti.gov/biblio/1436268
  81. Adhikari, S. & Wishart, J. (2018). Pulse Radiolysis and Computational Studies on a Pyrrolidinium Dicyanamide Ionic Liquid: Detection of the Dimer Radical Anion. Journal of Physical Chemistry A https://www.osti.gov/biblio/1433984
  82. Le, A. & Sears, T. (2018). Analysis of the ~ A - ~X bands of the Ethynyl Radical near 1.48micro-m and Re-evaluation of ~X State Energies. Journal of Molecular Spectroscopy https://www.osti.gov/biblio/1433987
  83. Song, L. (2018). Reduction Reaction Activity on Pt-Monolayer-Shell PdIr/Ni-core Catalysts. ECS Transactions, 85(12), 57-65 https://dx.doi.org/10.1149/08512.0057ecst
  84. Liang, Z. (2018). Electrochemical CO2 reduction on oxide-derived Cu surface with various oxide thicknesses. ECS Transactions, 85(12), 195-199 https://dx.doi.org/10.1149/08512.0195ecst
  85. Wan, W. & Chen, J. (2018). A Comparative Study of Hydrodeoxygenation of Furfural Over Fe/Pt(111) and Fe/Mo2C Surfaces. Topics In Catalysis, 61(5 to 6), 439-445 https://dx.doi.org/10.1007/s11244-018-0901-x
  86. Wang, L. & Ertem, M. (2018). Highly Efficient and Selective Methanol Production from Paraformaldehyde and Water at Room Temperature. ACS Catalysis https://www.osti.gov/biblio/1460702
  87. Liu, D. & Frenkel, A. (2018). Identifying Dynamic Structural Changes of Active Sites in Pt-Ni Bimetallic Catalysts Using Multimodal Approaches. Acs Catalysis, 8(5), 4120-4131 https://dx.doi.org/10.1021/acscatal.8b00706
  88. Winter, L. & Chen, J. (2018). Tuning Ni-catalyzed CO2 hydrogenation selectivity via Ni-ceria support interactions and Ni-Fe bimetallic formation. Applied Catalysis B-Environmental, 224, 442-450 https://dx.doi.org/10.1016/j.apcatb.2017.10.036
  89. Grills, D. (2018). Radiolytic formation of the carbon dioxide radical anion in acetonitrile revealed by transient IR spectroscopy. Physical Chemistry Chemical Physics https://www.osti.gov/biblio/1430880
  90. Shimoda, T. & Fujita, E. (2018). Photocatalytic CO2 Reduction by Trigonal Bipyramidal Cobalt(II) Polypyridyl Complexes: Nature of Cobalt(I) and Cobalt(0) Complexes upon Their Reactions with CO2, CO and Proton. Inorganic Chemistry https://www.osti.gov/biblio/1433980
  91. Wang, Q. & Yang, X. (2018). Tunnel-structured Na0.66[Mn0.66Ti0.34]O2-xFx (x < 0.1) cathode for high performance sodium-ion batteries. Energy Storage Materials https://www.osti.gov/biblio/1434003
  92. Vovchok, D. & Senanayake, S. (2018). In Situ Characterization of Mesoporous Co/CeO2 Catalysts for the High-Temperature Water-Gas Shift. Journal Of Physical Chemistry C, 122(16), 8998-9008 https://dx.doi.org/10.1021/acs.jpcc.8b01271
  93. Hu, M. & Hanson, J. (2018). Structure and Thermal Stability of (H2O)(4) Tetrahedron and (H2O)(6) Hexagon Adsorbed on NaY Zeolite Studied by Synchrotron-Based Time-Resolved X-ray Diffraction. Industrial & Engineering Chemistry Research, 57(14), 4988-4995 https://dx.doi.org/10.1021/acs.iecr.8b00483
  94. Gomez, E. & Chen, J. (2018). Combining CO2 reduction with propane oxidative dehydrogenation over bimetallic catalysts. Nature Communications , 9 https://dx.doi.org/10.1038/s41467-018-03793-w
  95. Kanega, R. & Fujita, E. (2018). Picolinamide-based Iridium Catalysts for Dehydrogenation of Formic Acid in Water: Effect of N Amide Substituent on Activity and Stability. Eur. J. Chem https://www.osti.gov/biblio/1430848
  96. Rodriguez, J. (2018). High Activity of Au/K/TiO2(110) for CO oxidation: Alkali Enhanced Dispersion of Au and Bonding of CO. Journal of Physical Chemistry C https://www.osti.gov/biblio/1430849
  97. Wang, J. (2018). Temperature-Dependent Kinetic Study of Ammonia Oxidation Reaction on Gas Diffusion Electrodes in NH3-Saturated 1 M KOH Solutions. ECS Transactions https://www.osti.gov/biblio/1430851
  98. Manso, R. & Wang, J. (2018). CuPt and CuPtRu Nanostructures for Ammonia Oxidation Reaction. ECS Transactions https://www.osti.gov/biblio/1430852
  99. Zhang, Y. & Wang, J. (2018). Oxygen Reduction on Gold Nanocrystal Surfaces in Alkaline Electrolyte: Evidence for Surface Proton Transfer Effects. ECS Transactions https://www.osti.gov/biblio/1430856
  100. Zhang, F. & Senanayake, S. (2018). In Situ Elucidation of the Active State of Co-CeOx Catalysts in the Dry Reforming of Methane: The Important Role of the Reducible Oxide Support and Interactions with Cobalt. Acs Catalysis, 8(4), 3550-3560 https://www.osti.gov/biblio/1462401
  101. Koike, K. & Fujita, E. (2018). Investigation of excited state, reductive quenching, and intramolecular electron transfer of Ru(II)‐Re(I) supramolecular photocatalysts for CO2 reduction using time‐resolved IR measurements. Chem. Sci. https://www.osti.gov/biblio/1425101
  102. Wu, Q. & Chen, J. (2018). Growth of Nanoparticles with Desired Catalytic Functions by Controlled Doping-Segregation of Metal in Oxide. Chemistry Of Materials, 30(5), 1585-1592 https://dx.doi.org/10.1021/acs.chemmater.7b04699
  103. Tackett, B. & Chen, J. (2018). Reducing Iridium Loading in Oxygen Evolution Reaction Electrocatalysts Using Core-Shell Particles with Nitride Cores. Acs Catalysis, 8(3), 2615-2621 https://dx.doi.org/10.1021/acscatal.7b04410
  104. Mahajan, D. & Adzic, R. (2018). Solvent effect in sonochemical synthesis of metal-alloy nanoparticles for use as electrocatalysts. Ultrasonics Sonochemistry, 41, 427-434 https://dx.doi.org/10.1016/j.ultsonch.2017.09.049
  105. Senanayake, S. (2018). Interfaces in Heterogeneous Catalytic Reactions: Ambient Pressure XPS as a Tool to Unravel Surface Chemistry. Journal of Spectroscopy and Related Phenomena https://www.osti.gov/biblio/1425096
  106. Senanayake, S. (2018). New In Situ and Operando Facilities for Catalysis Science at NSLS-II: The Deployment of Real Time, Chemical and Structure Sensitive X-ray Probes. Synchrotron Radiation News https://www.osti.gov/biblio/1425097
  107. Matheu, R. & Ertem, M. (2018). The Role of Seven Coordination in Ru-catalyzed Water Oxidation. ACS Catalysis journal https://www.osti.gov/biblio/1425070
  108. Castner, Jr., E. & Wishart, J. (2018). Photo-induced Bimolecular Electron Transfer in Ionic Liquids: Cationic Electron Donors. Journal of Physical Chemistry https://www.osti.gov/biblio/1425075
  109. Dharmagunawardhane, H. & Palomino, R. (2018). Unexpected visible light driven photocatalytic activity without cocatalysts and sacrificial reagents from a (GaN)(1-x)(ZnO)(x) solid solution synthesized at high pressure over the entire composition range. Rsc Advances, 8(16), 8976-8982 https://dx.doi.org/10.1039/c7ra08509e
  110. Shadike, Z. (2018). Advanced Characterization Techniques for Sodium-Ion Battery Studies. Advanced Energy Materials https://www.osti.gov/biblio/1425180
  111. Liu, S. & Hu, E. (2018). Another Strategy, Detouring Potential Decay by Fast Completion of Cation Mixing. Advanced Energy Materials https://dx.doi.org/10.1002/aenm.201703092
  112. Zhao, B. & Chen, J. (2018). LaFe0.9Ni0.1O3 perovskite catalyst with enhanced activity and coke-resistance for dry reforming of ethane. Journal Of Catalysis, 358, 168-178 https://dx.doi.org/10.1016/j.jcat.2017.12.012
  113. Cook, A. (2018). p-Carborane Conjugation in Radical Anions of Cage-Cage and Cage-Phenyl Compounds. The Journal of Physical Chemistry Part A https://www.osti.gov/biblio/1425003
  114. Kunkel, C. & Rodriguez, J. (2018). Combining Theory and Experiment for Multitechnique Characterization of Activated CO2 on Transition Metal Carbide (001) Surfaces. Journal of Physical Chemistry C https://www.osti.gov/biblio/1425041
  115. Hu, E. (2018). Probing the Complexities of Structural Changes in Layered Oxide Cathode Materials for Li-Ion Batteries during Fast Charge-Discharge Cycling and Heating. Accounts of Chemical Research https://www.osti.gov/biblio/1425177
  116. Zhu, J. & Senanayake, S. (2018). A New Class of Metal-Cyclam-Based Zirconium Metal-Organic Frameworks for CO2 Adsorption and Chemical Fixation. Journal Of the American Chemical Society, 140(3), 993-1003 https://dx.doi.org/10.1021/jacs.7b10643
  117. Luo, S. & Senanayake, S. (2018). Enhanced, robust light-driven H-2 generation by gallium-doped titania nanoparticles. Physical Chemistry Chemical Physics, 20(3), 2104-2112 https://dx.doi.org/10.1039/c7cp04155a
  118. Mahapatra, M. (2018). Adsorption and Structure of Chiral Epoxides on Pd(111): Propylene Oxide and Glycidol. Journal Of Physical Chemistry C, 122(2), 1215-1222 https://dx.doi.org/10.1021/acs.jpcc.7b10852
  119. Palomino, R. (2018). Hydrogenation of CO2 on ZnO/Cu(100) and ZnO/Cu(111) Catalysts: Role of Copper Structure and Metal-Oxide Interface in Methanol Synthesis. Journal Of Physical Chemistry B, 122(2), 794-800 https://dx.doi.org/10.1021/acs.jpcb.7b06901
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  121. Zhang, Z. & Chen, J. (2018). In situ hydrogenation and decarboxylation of oleic acid into heptadecane over a Cu-Ni alloy catalyst using methanol as a hydrogen carrier. Green Chemistry, 20(1), 197-205 https://dx.doi.org/10.1039/c7gc02774e

2017

  1. Liu, S. & Liu, P. (2017). Oxygen Reduction Reaction on Ag(111) in Alkaline Solution: A Combined Density Functional Theory and Kinetic Monte Carlo Study. ChemcatChem https://www.osti.gov/biblio/1424995
  2. Cai, B. & Vukmirovic, M. (2017). Core-shell structuring of pure metallic aerogels towards highly efficient Pt utilization for the oxygen reduction reaction. Angewandte Chemie International Edition https://dx.doi.org/10.1002/anie.201710997
  3. Luo, S. & Palomino, R. (2017). Enhanced, Robust Light-Driven H2 Generation by Gallium Doped Titania Nanoparticles. Physical Chemistry Chemical Physics, 2104-2112 https://dx.doi.org/10.1039/C7CP04155A
  4. CHEN, H. (2017). Escape of Anions from Geminate Recombination 1 in THF due to Charge Delocalization. Phys. Chem. Chem. Phys. https://www.osti.gov/biblio/1412781
  5. Posada-Perez, S. & Rodriguez, J. (2017). Highly active Au/delta-MoC and Au/beta- Mo2C catalysts for the low-temperature water gas shift reaction: effects of the carbide metal/carbon ratio on the catalyst performance. Catalysis Science & Technology https://dx.doi.org/10.1039/c7cy00639j
  6. Aharmim, B. & Yeh, M. (2017). Search for neutron-antineutron oscillations at the Sudbury Neutrino Observatory. Physical Review D, 96(9) https://dx.doi.org/10.1103/PhysRevD.96.092005
  7. Zhang, K. (2017). Finding a Needle in the Haystack: Identification of Functionally Important Minority Phases in Operating Battery. Nano Letters https://www.osti.gov/biblio/1409510
  8. Khalifah, P. (2017). Observation of Vacancies, Faults, and Superstructures in Ln(5)Mo(2)O(12) (Ln = La, Y, and Lu) Compounds with Direct Mo-Mo Bonding. Inorganic Chemistry, 56(21), 12866-12880 https://www.osti.gov/biblio/1425105
  9. Kim, M. & Bak, S. (2017). Self-assembled Li3V2(PO4)(3)/reduced graphene oxide multilayer composite prepared by sequential adsorption. Journal Of Power Sources, 367, 167-176 https://dx.doi.org/10.1016/j.jpowsour.2017.09.057
  10. Rodriguez, J. (2017). Inverse Catalysts for CO Oxidation: Enhanced Oxide-Metal Interactions in MgO/Au(111), CeO2/Au(111), and TiO2/Au(111). Acs Sustainable Chemistry & Engineering, 5(11), 10783-10791 https://dx.doi.org/10.1021/acssuschemeng.7b02744
  11. Liu, Y. & Liu, P. (2017). Structure and Electronic Properties of Interface-Confined Oxide Nanostructures. Acs Nano, 11(11), 11449-11458 https://dx.doi.org/10.1021/acsnano.7b06164
  12. Ma, Z. & Wang, J. (2017). Reaction mechanism for oxygen evolution on RuO2, IrO2, and RuO2@IrO2 core-shell nanocatalysts. Journal of Electroanalytical Chemistry https://www.osti.gov/biblio/1425009
  13. Wang, P. (2017). Honeycomb-Ordered Na3Ni1.5M0.5BiO6 (M = Ni, Cu, Mg, Zn) as High Voltage Layered Cathodes for Sodium-Ion Batteries. ACS Energy Letters https://www.osti.gov/biblio/1409508
  14. Matyushov, D. (2017). Electrode Reactions in Slowly Relaxing Media. J Chem Phys https://www.osti.gov/biblio/1407474
  15. Rong, X. (2017). Structure-Induced Reversible Anionic Redox Activity in Na Layered Oxide Cathode. Joule https://www.osti.gov/biblio/1407472
  16. Shaffer, D. (2017). Lability and Basicity of Bipyridine-Carboxylate-Phosphonate Ligand Accelerate Single-Site Water Oxidation by Ruthenium-Based Molecular Catalysts. Jacs https://www.osti.gov/biblio/1405937
  17. Lyu, Y. (2017). Correlations between Transition Metal Chemistry, Local Structure and Global Structure in Li2Ru0.5Mn0.5O3 Investigated in a Wide Voltage Window. Chemistry of Materials https://www.osti.gov/biblio/1405938
  18. Bird, M. (2017). Effects of Electrolytes on Redox Potentials Through Ion Pairing. Journal of Electroanalytical Chemistry https://www.osti.gov/biblio/1405940
  19. Khalifah, P. (2017). Influence of Thermal Annealing on Free Carrier Concentration in (GaN)(1-x)(ZnO)(x) Semiconductors. Journal of Physical Chemistry C, 121(42), 23249-23258 https://www.osti.gov/biblio/1425025
  20. Xue, M. (2017). Electronic Interactions of Size-Selected Oxide Clusters on Metallic and Thin Film Oxide Supports. Journal of Physical Chemistry C https://www.osti.gov/biblio/1412738
  21. Sorensen, A. (2017). Temperature Quenching in LAB based liquid scintillator. The European Physical Journal C https://www.osti.gov/biblio/1412792
  22. Caravaca, J. & Yeh, M. (2017). Cherenkov and Scintillation Light Separation in Organic Liquid Scintillators. The European Physical Journal C https://www.osti.gov/biblio/1424993
  23. Ertem, M. (2017). Iridium Complexes with Proton-Responsive Azole-Type Ligands as Effective Catalysts for CO2 Hydrogenation. ChemSusChem https://dx.doi.org/10.1002/cssc.201701676
  24. Shaffer, D. (2017). O-O Bond Formation in Ruthenium-Catalyzed Water Oxidation: Single-Site Nucleophilic Attack vs O-O Radical Coupling. Chemical Society Reviews https://www.osti.gov/biblio/1405932
  25. Cai, Z. (2017). Single-Crystalline Ultrathin Co3O4 Nanosheets with Massive Vacancy Defects for Enhanced Electrocatalysis. Advanced Energy Materials https://www.osti.gov/biblio/1395946
  26. Timoshenko, J. & Lu, D. (2017). Supervised Machine-Learning-Based Determination of Three-Dimensional Structure of Metallic Nanoparticles. Journal of Physical Chemistry Letters https://www.osti.gov/biblio/1425047
  27. Jimenez-Orozco, C. (2017). Acetylene and Ethylene Adsorption on a beta-Mo2C(100) Surface: A Periodic DFT Study on the Role of C- and Mo-terminations for Bonding and Hydrogenation Reactions. Journal of Physical Chemistry C https://www.osti.gov/biblio/1395939
  28. Kattle, S. (2017). Response to Comment on "Active sites for CO2 hydrogenation to methanol on Cu/ZnO catalysts". Science https://www.osti.gov/biblio/1392266
  29. Grills, D. (2017). Application of Pulse Radiolysis to Mechanistic Investigations of Catalysis Relevant to Artificial Photosynthesis. Chemsuschem https://dx.doi.org/10.1002/cssc.201701559
  30. Jiang, Z. (2017). Understanding the Role of M/Pt(111) (M = Fe, Co, Ni, Cu) Bimetallic Surfaces for Selective Hydrodeoxygenation of Furfural. Acs Catalysis https://dx.doi.org/10.1021/acscatal.7b01682
  31. Rodriguez, J. (2017). Ceria-based model catalysts: Fundamental studies on the importance of the metal-ceria interface in CO oxidation, the water-gas shift, CO2 hydrogenation, and methane and alcohol reforming. Chemical Society Reviews https://www.osti.gov/biblio/1377054
  32. Kattel, S. (2017). Active Sites for CO2 Hydrogenation to Methanol on Cu/ZnO Catalysts. Science https://www.osti.gov/biblio/1377055
  33. Liu, Z. (2017). Elucidating the Interaction between Ni and CeOx in Ethanol Steam Reforming Catalysts: A Perspective of Recent Studies over Model and Powder Systems. Applied Catalysis B https://www.osti.gov/biblio/1377056
  34. Yu, H. (2017). A coherent discrete variable representation method on a sphere. J. Chem. Phys. https://www.osti.gov/biblio/1377058
  35. Liu, Z. (2017). Methanol Steam Reforming over Ni-CeO2 Model and Powder Catalysts: Pathways to High Stability and Selectivity for H2/CO2 Production. Catalysis Today https://www.osti.gov/biblio/1377059
  36. Kuttiyiel, K. (2017). Janus structured Pt-FeNC nanoparticles as a catalyst for the oxygen reduction reaction. https://www.osti.gov/biblio/1377060
  37. Shadike, Z. (2017). Antisite occupation induced single anionic redox chemistry and structural stabilization of layered sodium chromium sulfide . https://www.osti.gov/biblio/1377061
  38. Liu, Z. (2017). In Situ Investigation of Methane Dry Reforming on Metal/Ceria(111) Surfaces: Metal-Support Interactions and C-H Bond Activation at Low Temperature. Angewandte Chemie https://www.osti.gov/biblio/1377057
  39. Lin, F. (2017). Synchrotron X-ray Analytical Techniques for Studying Materials Electrochemistry in Rechargeable Batteries. Chemical Review https://www.osti.gov/biblio/1377367
  40. Kanega, R. (2017). CO2 Hydrogenation Catalysts with Deprotonated Picolinamide Ligands. https://www.osti.gov/biblio/1395940
  41. Matheu, R. (2017). Hydrogen Bonding Rescues Overpotential in Seven Coordinated Ru Water Oxidation Catalysts. https://www.osti.gov/biblio/1405933
  42. Lymar, S. (2017). Role of Hydrogen Bonding in Photoinduced Electron-Proton Transfer from Phenols to a Polypyridine Ru Complex with a Proton-Accepting Ligand. The Journal of Physical Chemistry Letters https://dx.doi.org/%2010.1021/acs.jpclett.7b01614
  43. Zhao, S. (2017). Multimodal study of the speciations and activities of supported Pd catalysts during the hydrogenation of ethylene. https://www.osti.gov/biblio/1395943
  44. Mani, T. (2017). Probing Intermolecular Electron Delocalization in Dimer Radical Anions by Vibrational Spectroscopy . https://www.osti.gov/biblio/1399684
  45. Wang, Q. (2017). Utilizing Co2+/Co3+ Redox Couple in P2-layered Na0.66Co0.22Mn0.44Ti0.34O2 Cathode for Sodium-Ion Batteries. Advanced Science https://www.osti.gov/biblio/1376159
  46. Rodriguez, J. (2017). Highly Active Pt/MoC and Pt/TiC Catalysts for the Low-Temperature Water-gas Shift Reaction: Effects of the Carbide Metal/Carbon Ratio on the Catalyst Performance. Catalysis Today https://www.osti.gov/biblio/1376160
  47. Stanislavchuk, T. & Khalifah, P. (2017). Infrared-active optical phonons in LiFePO4 single crystals. Journal of Applied Physics https://dx.doi.org/10.1063/1.4995282
  48. Kattel, S. (2017). Tuning Selectivity of CO2 Hydrogenation Reactions at the Metal/Oxide Interface . https://www.osti.gov/biblio/1395947
  49. Vila, F. (2017). Anomalous Structural Disorder in Supported Pt Nanoparticles . https://www.osti.gov/biblio/1395941
  50. Vukmirovic, M. (2017). Single Platinum Atoms Electrocatalysts: Oxygen Reduction and Hydrogen Oxidation Reactions. Croatia Chemica Acta 2017 https://www.osti.gov/biblio/1377023
  51. Liu, J. & Khalifah, P. (2017). In Situ Neutron Diffraction Studies of the Ion Exchange Synthesis Mechanism of Li2Mg2P3O9N: Evidence for a Hidden Phase Transition. Journal Of the American Chemical Society , 139(27), 9192-9202 https://www.osti.gov/biblio/1425044
  52. Liu, J. (2017). In Situ Neutron Diffraction Studies of the Ion Exchange Synthesis Mechanism of Li2Mg2P3O9N: Evidence for a Hidden Phase Transition . https://www.osti.gov/biblio/1392264
  53. Meng, X. (2017). Two-color field enhancement at an STM junction for spatiotemporally resolved photoemission . https://www.osti.gov/biblio/1409641
  54. Yao, H. (2017). Designing Air-Stable O3-Type Cathode Materials by Com-bined Structure Modulation for Na-Ion Batteries. Journal of American Chemical Society https://www.osti.gov/biblio/1372445
  55. Bird, M. (2017). Fast Holes, Slow Electrons, and Medium Control of Polaron Size and Mobility in the DA Polymer F8BT. The Journal of Physical Chemistry C https://www.osti.gov/biblio/1376158
  56. Huang, H. & Khalifah, P. (2017). Self-Referenced Method for Estimating Refractive Index and Absolute Absorption of Loose Semiconductor Powders. Chemistry of Materials https://dx.doi.org/10.1021/acs.chemmater.6b04463
  57. Manbeck, F. (2017). Tetra- and Heptametallic Ru(II),Rh(III) Supramolecular Hydrogen Production Photocatalysts . https://www.osti.gov/biblio/1376171
  58. Manbeck, G. (2017). Tetra- and Heptametallic Ru(II),Rh(III) Supramolecular Hydro-gen Production Photocatalysts. Journal of the American Chemical Society https://dx.doi.org/10.1021/jacs.7b02142
  59. Tian, X. (2017). High-Performance Core-Shell Catalyst with Nitride Nanoparticles as a Core: Well-Defined Titanium Copper Nitride Coated with an Atomic Pt Layer for the Oxygen Reduction Reaction . https://www.osti.gov/biblio/1377049
  60. Bak, S. (2017). Na-Ion Intercalation and Charge Storage Mechanism in Two-Dimensional Vanadium Carbide . https://www.osti.gov/biblio/1366345
  61. Yu, H. (2017). A rigorous full-dimensional quantum dynamics study of tunneling splitting of rovibrational states of vinyl radical C2H3. J. Chem. Phys https://www.osti.gov/biblio/1366346
  62. Lall-Ramnarine, S. (2017). Connecting Structural and Transport Properties of Ionic Liquids with Cationic Oligoether Chains. Journal of the Electrochemical Society https://www.osti.gov/biblio/1366347
  63. Wang, G. (2017). Sulfur Redox Reactions on Nanostructured Highly Oriented Pyrolytic Graphite Electrodes: Direct Evidence for Superior Electrocatalytic Performance on Defect Sites. Carbon https://www.osti.gov/biblio/1439794
  64. Lall-Ramnarine, S. (2017). Exploring the use of ionic liquid mixtures to enhance the performance of dicationic ionic liquids. Journal of the Electrochemical Society https://www.osti.gov/biblio/1358033
  65. Suarez, S. (2017). Investigation of dynamics in BMIM TFSA ionic liquid through variable temperature and pressure NMR relaxometry and diffusometry. Journal of the Electrochemical Society https://www.osti.gov/biblio/1358032
  66. Mezyk, S. (2017). The chemistry of separations ligand degradation by organic radical cations. Procedia Chemistry https://www.osti.gov/biblio/1358034
  67. Xu, Y. (2017). In-situ Visualization of State-of-Charge Heterogeneity within a LiCoO2 Particle that Evolves upon Cycling at Different Rates. ACS Energy Letters https://www.osti.gov/biblio/1358026
  68. Caravaca, J. (2017). Experiment to demonstrate separation of Cherenkov and scintillation signals . https://www.osti.gov/biblio/1372444
  69. Gao, D. (2017). Enhancing CO2 Electroreduction with the Metal-Oxide Interface . https://www.osti.gov/biblio/1368679
  70. Guild, C. (2017). Water-Gas-Shift over Metal-Free Nanocrystalline Ceria: An Experimental and Theoretical Study . https://www.osti.gov/biblio/1368675
  71. Smalley, J. (2017). Potential of Zero Charge and Its Temperature Derivative for Au(111) Electrode|Alkanethiol SAM|1.0 M Aqueous Electrolyte Solution Interfaces: Impact of Electrolyte Solution Ionic Strength and Its Effect on the Structure of the Modified Electrode|Electrolyte Solution Interface. Journal of Physical Chemistry C https://dx.doi.org/10.1021/acs.jpcc.6b10954
  72. Boyle, D. (2017). Elucidation of Active Sites for the Reaction of Ethanol on TiO2/Au(111) . https://www.osti.gov/biblio/1372450
  73. Wang, Q. (2017). Atomic-Level Structural Dynamics of Polyoxoniobates during DMMP Decomposition . https://www.osti.gov/biblio/1395944
  74. Wan, W. & Chen, J. (2017). Reactions of water and C1 molecules on carbide and metal-modified carbide surfaces. Chemical Society Reviews https://dx.doi.org/10.1039/c6cs00862c
  75. Lin, L. & Chen, J. (2017). Pt/Mo2C/C-cp as a highly active and stable catalyst for ethanol electrooxidation. Journal Of Power Sources https://dx.doi.org/10.1016/j.jpowsour.2017.02.001
  76. Waskasi, M. (2017). Impact of Temperature and Non-Gaussian Statistics on Electron Transfer in Donor-Bridge-Acceptor Molecules. Journal of Physical Chemistry https://www.osti.gov/biblio/1349562
  77. CHEN, H. (2017). Chain Length Dependence of Energies of Electron and Triplet Polarons in Oligofluorenes. J. Phys. Chem. C https://www.osti.gov/biblio/1349560
  78. Dinpajooh, M. (2017). Free energy functionals for polarization fluctuations: Pekar factor revisited. Journal of Chemical Physics https://www.osti.gov/biblio/1349561
  79. Matyushov, D. (2017). Solvent-Induced Shift of Spectral Lines in Polar-Polarizable Solvents. Journal of Physical Chemistry https://www.osti.gov/biblio/1347381
  80. Nganga, J. (2017). Electrochemical Reduction of CO2 Catalyzed by Re(pyridine-oxazoline)(CO)3Cl Complexes. Inorganic Chemistry https://www.osti.gov/biblio/1349563
  81. Luo, S. (2017). Importance of Low Dimensional CeOx Nanostructures in Pt/CeOx-TiO2 Catalysts for the Water-Gas Shift Reaction. Jpcc https://www.osti.gov/biblio/1347370
  82. Hicks, S. (2017). Lifetimes in(124)Te: Examining critical-point symmetry in the Te nuclei . https://www.osti.gov/biblio/1395942
  83. An, W. (2017). Interfacial and Alloying Effects on Activation of Ethanol from First-Principles. https://www.osti.gov/biblio/1361266
  84. Kim, J. (2017). Electronic Structural Studies on the Improved Thermal Stability of Li(Ni0.8Co0.15Al0.05)O2 by ZrO2 Coating for Lithium Ion Batteries. Journal of Applied Electrochemistry https://www.osti.gov/biblio/1348290
  85. Cao, M. (2017). Suppressing Chromium Disproportion Reaction in O3-type Layered Cathode Material for High Capacity Sodium-ion Batteries. Journal of Materials Chemistry A https://www.osti.gov/biblio/1346753
  86. Betancourt, L. (2017). Rotating Disk Slurry Au Electrodeposition at Unsupported Carbon Vulcan XC-72 and Ce3+ Impregnation for Ethanol Oxidation in Alkaline Media. https://www.osti.gov/biblio/1366354
  87. Ngo, K. (2017). Turning on the Protonation-First Pathway for Electrocatalytic CO2 Reduction by Manganese Bipyridyl Tricarbonyl Complexes. Journal of the American Chemical Society (JACS) https://www.osti.gov/biblio/1345736
  88. Liu, Y. (2017). Enhanced oxidation resistance of active nanostructures via dynamic size effect. https://www.osti.gov/biblio/1358014
  89. Xie, Z. (2017). Comparison of Methodologies of Activation Barrier Measurements for Reactions with Deactivation . https://www.osti.gov/biblio/1358017
  90. Matsubu, J. (2017). Adsorbate-mediated strong metal-support interactions in oxide-supported Rh catalysts . https://www.osti.gov/biblio/1358016
  91. Posada-Perez, S. (2017). Adsorption and dissociation of molecular hydrogen on orthorhombic beta-Mo2C and cubic delta-MoC (001) surfaces . https://www.osti.gov/biblio/1358020
  92. Zheng, D. (2017). Investigation of Li-S Battery Mechanism by Real-Time Monitoring the Changes of Sulfur and Polysulfide Species during the Discharge and Charge. ACS Applied Materials & Interfaces https://www.osti.gov/biblio/1342633
  93. Xu, J. (2017). Understanding the Degradation Mechanism of Lithium Nickel Oxide Cathodes for Li-Ion Batteries . https://www.osti.gov/biblio/1342638
  94. Li, Y. (2017). Enhancing Electrocatalytic Performance of Bifunctional Cobalt-Manganese-Oxynitride Nanocatalysts on Graphene . https://www.osti.gov/biblio/1354693
  95. Sherman, B. (2017). Light-Driven Water Splitting by a Covalently Linked Ruthenium-Based Chromophore-Catalyst Assembly. https://www.osti.gov/biblio/1349575

2016

  1. Matsubara, Y. (2016). Experimental Insight into the Thermodynamics of the Dissolution of Electrolytes in Room- Temperature Ionic Liquids: From the Mass Action Law to the Absolute Standard Chemical Potential of a Proton. ACS Omega https://www.osti.gov/biblio/1341613
  2. Plonka, A. (2016). In Situ Probes of Capture and Decomposition of Chemical Warfare Agent Simulants by Zr-based Metal Organic Frameworks. https://www.osti.gov/biblio/1349576
  3. Xu, P. (2016). Periodic domain boundary ordering in a dense molecular adlayer: Sub-saturation carbon monoxide on Pd(111). Surface Science, 46-54 https://dx.doi.org/10.1016/j.susc.2016.12.004
  4. Jimenez-Orozco, C. (2016). Acetylene adsorption on delta-MoC(001), TiC(001) and ZrC(001) surfaces: a comprehensive periodic DFT study. https://www.osti.gov/biblio/1351740
  5. Lei, W. (2016). Bandgap- and Local Field-Dependent Photoactivity of Ag/Black Phosphorus Nanohybrids . https://www.osti.gov/biblio/1345735
  6. Manbeck, G. (2016). Hydricity, Electrochemistry, and Excited-State Chemistry of Ir Complexes for CO2 Reduction. Faraday Discussions https://www.osti.gov/biblio/1337642
  7. Zuo, Z. (2016). The Low‐Temperature Conversion of Methane to Methanol on Ce‐Ox/Cu2O catalysts: Water Controlled Activation of the C‐H Bond. The Journal of the American Chemical Society https://www.osti.gov/biblio/1333200
  8. Lustemberg, P. (2016). Room Temperature Activation of Methane and Dry Reforming with CO2 on Ni-CeO2(111)Surfaces: Effect of Ce3+ Sites and Metal-Support Interactions on C-H bond Cleavage. ACS Catalysis https://www.osti.gov/biblio/1333201
  9. Shaffer, D. (2016). Manipulating the Rate-Limiting Step in Water Oxidation Catalysis by Ruthenium Bipyridine-Dicarboxylate Complexes . https://www.osti.gov/biblio/1344227
  10. Liu, Z. (2016). Elucidating the interaction between Ni and CeOx in ethanol steam reforming catalysts: A perspective of recent studies over model and powder systems . https://www.osti.gov/biblio/1331071
  11. Grinter, D. (2016). In situ growth, structure, and real-time chemical reactivity of well-defined CeOx-Ru(0001) model surfaces . https://www.osti.gov/biblio/1331072
  12. Yan, B. (2016). Dry Reforming of Ethane and Butane with CO2 over PtNi/CeO2 Bimetallic Catalysts . https://www.osti.gov/biblio/1342631
  13. Kattel, S. (2016). CO2 hydrogenation on Pt, PtiSiO(2) and Pt/TiO2: Importance of synergy between Pt and oxide support . https://www.osti.gov/biblio/1341672
  14. Myint, M. (2016). Reforming and oxidative dehydrogenation of ethane with CO2 as a soft oxidant over bimetallic catalysts . https://www.osti.gov/biblio/1341673
  15. Wang, L. (2016). Efficient Hydrogen Storage and Production using an Iridium Catalyst with an Imidazoline-Based Proton-Responsive Ligand in Water. ChemSusChem https://www.osti.gov/biblio/1337648
  16. Kuttiyiel, K. (2016). Tuning electrocatalytic activity of Pt monolayer shell by bimetallic Ir-M (M=Fe, Co, Ni or Cu) cores for the oxygen reduction reaction . https://www.osti.gov/biblio/1346747
  17. Zuo, Z. (2016). Low-Temperature Conversion of Methane to Methanol on CeOx/Cu2O Catalysts: Water Controlled Activation of the C-H Bond . https://www.osti.gov/biblio/1345747
  18. Fickel, D. (2016). Chloromethane to olefins over H-SAPO-34: Probing the hydrocarbon pool mechanism . https://www.osti.gov/biblio/1341680
  19. Chen, G. (2016). Oxygen Reduction Kinetics on Pt Monolayer Shell Highly Affected by the Structure of Bimetallic AuNi Cores. Chemistry of Materials https://www.osti.gov/biblio/1329922
  20. Alexandrou, K. (2016). Improving the radiation hardness of graphene field effect transistors . https://www.osti.gov/biblio/1341676
  21. Grinter, D. (2016). Potassium and Water Coadsorption on TiO2(110): OH-Induced Anchoring of Potassium and the Generation of Single-Site Catalysts . https://www.osti.gov/biblio/1337656
  22. Xiong, K. (2016). Reaction pathways of furfural, furfuryl alcohol and 2-methylfuran on Cu(111) and NiCu bimetallic surfaces . https://www.osti.gov/biblio/1338591
  23. Senanayake, S. (2016). Interfacial Cu+ promoted surface reactivity: Carbon monoxide oxidation reaction over polycrystalline copper-titania catalysts . https://www.osti.gov/biblio/1329786
  24. Lall-Ramnarine, S. & Wishart, J. (2016). The Effect of Lengthening Cation Ether Tails On Ionic Liquid Properties. ECS Transactions https://www.osti.gov/biblio/1425011
  25. Lall-Ramnarine, S. & Wishart, J. (2016). Transport Properties of Ionic Liquid Mixtures Containing Heterodications. ECS - Transactions https://www.osti.gov/biblio/1425013
  26. Twagirayezu, S. (2016). Quadrupole splittings in the near-infrared spectrum of 14NH3. Journal of Chemical Physics https://www.osti.gov/biblio/1328384
  27. Vukmirovic, M. (2016). Controllable Deposition of Platinum Layers on Oxide Surfaces for the Synthesis of Fuel Cell Catalysts. ChemElectroChem https://www.osti.gov/biblio/1326755
  28. Zhang, Z. (2016). A self-forming composite electrolyte for solid-state sodium battery with ultra-long cycle life. Advanced Energy Materials https://www.osti.gov/biblio/1326759
  29. Kattel, S. (2016). Optimizing Binding Energies of Key Intermediates for CO2 Hydrogenation to Methanol over Oxide-Supported Copper . https://www.osti.gov/biblio/1345746
  30. Xu, Y. (2016). Structural Integrity - Searching the Key Factor to Suppress the Voltage Fade of Li-rich Layered Cathode Materials through 3D X-ray Imaging and Spectroscopy Techniques. Nano Energy https://www.osti.gov/biblio/1326739
  31. Manbeck, G. (2016). Proton-Coupled Electron Transfer in a Strongly Coupled Photosystem II-Inspired Chromophore-Imidazole-Phenol Complex: Stepwise Oxidation and Concerted Reduction . https://www.osti.gov/biblio/1336211
  32. Li, M. (2016). Separation of scintillation and Cherenkov lights in linear alkyl benzene . https://www.osti.gov/biblio/1331067
  33. Zheng, D. (2016). Reaction between Lithium Anode and Polysulfide Ions in a Lithium-Sulfur Battery . https://www.osti.gov/biblio/1342632
  34. An, W. (2016). The complex behavior of the Pd-7 cluster supported on TiO2(110) during CO oxidation: adsorbate-driven promoting effect . https://www.osti.gov/biblio/1342650
  35. Liu, J. (2016). Quantification of Honeycomb Number-Type Stacking Faults: Application to Na3Ni2BiO6 Cathodes for Na-Ion Batteries . https://www.osti.gov/biblio/1336212
  36. Buck, C. (2016). Metal-loaded organic scintillators for neutrino physics . https://www.osti.gov/biblio/1336174
  37. Magee, J. (2016). Infrared Spectroscopy Investigation of Fe-Promoted Rh Catalysts Supported on Titania and Ceria for CO Hydrogenation . https://www.osti.gov/biblio/1333205
  38. Peterson, R. (2016). The Phylogeny and Active Site Design of Eukaryotic Cu-only Superoxide Dismutases. Journal of Biological Chemistry https://www.osti.gov/biblio/1336119
  39. Yu, H. (2016). An exact variational method to calculate rovibrational spectra of polyatomic molecules with large amplitude motion. Journal of Chemical Physics https://www.osti.gov/biblio/1303029
  40. Goncharov, V. (2016). Supercontinuum Fourier transform spectrometry with balanced detection on a single photodiode. Journal of Chemical Physics https://www.osti.gov/biblio/1303027
  41. Zhou, J. (2016). Imaging surface morphology, chemistry and conductivity, and local spectroscopy of LiNi1/3Fe1/3Mn4/3O4 crystalline facets using XRF/TEY implemented scanning transmission X-ray microscopy. Physical Chemistry Chemical Physics https://www.osti.gov/biblio/1303150
  42. Le, A. (2016). The near-infrared spectrum of ethynyl radical. Journal of Chemical Physics https://www.osti.gov/biblio/1303024
  43. Hoffman, F. (2016). Enhancing the reactivity of gold: Nanostructured Au(111) adsorbs CO . https://www.osti.gov/biblio/1303022
  44. Grinter, D. (2016). Water-gas shift reaction over gold nanoparticles dispersed on nanostructured CeOx-TiO2(110) surfaces: Effects of high ceria coverage . https://www.osti.gov/biblio/1303023
  45. Biassoni, M. (2016). Rejection of Alpha Surface Background in Non-scintillating Bolometric Detectors: The ABSuRD Project . https://www.osti.gov/biblio/1336229
  46. Hoffman, P. (2016). Enhancing the reactivity of gold: Nanostructured Au(111) adsorbs CO . https://www.osti.gov/biblio/1333202
  47. Grinter, D. (2016). Water-gas shift reaction over gold nanoparticles dispersed on nanostructured CeOx-TiO2(110) surfaces: Effects of high ceria coverage . https://www.osti.gov/biblio/1333203
  48. Schneider, T. (2016). Mechanism of Photocatalytic Reduction of CO2 by Re(bpy)(CO)(3)Cl from Differences in Carbon Isotope Discrimination . https://www.osti.gov/biblio/1331074
  49. Zhou, Y. (2016). High-Rate Charging Induced Intermediate Phases and Structural Changes of Layer-Structured Cathode for Lithium-Ion Batteries. Advanced Energy Materials https://www.osti.gov/biblio/1336072
  50. Zhu, S. (2016). The Role of Citric Acid in Perfecting Platinum Monolayer on Palladium Nanoparticles during the Surface Limited Redox Replacement Reaction. Journal Of the Electrochemical Society https://dx.doi.org/10.1149/2.0061612jes
  51. Hu, J. (2016). Increasing Stability and Activity of Core-Shell Catalysts by Preferential Segregation of Oxide on Edges and Vertexes: Oxygen Reduction on Ti-Au@Pt/C . https://www.osti.gov/biblio/1329805
  52. Wu, Q. (2016). Understanding the Interactions of CO2 with Doped and Undoped SrTiO3 . https://www.osti.gov/biblio/1333196
  53. Liu, S. (2016). Mechanism of Oxygen Reduction Reaction on Pt(111) in Alkaline Solution: Importance of Chemisorbed Water on Surface. https://www.osti.gov/biblio/1328388
  54. Kokkin, D. (2016). Detection and characterization of singly deuterated silylene, SiHD, via optical spectroscopy. Journal of Chemical Physics https://www.osti.gov/biblio/1263914
  55. Hong, S. (2016). Adlayer structure dependent ultrafast desorption dynamics in carbon monoxide adsorbed on Pd (111). https://www.osti.gov/biblio/1329916
  56. Rodriguez, J. (2016). Inverse Oxide/Metal Catalysts in Fundamental Studies and Practical Applications: A Perspective of Recent Developments . https://www.osti.gov/biblio/1326742
  57. Liu, Z. (2016). Ambient pressure XPS and IRRAS investigation of ethanol steam reforming on Ni-CeO2(111) catalysts: an in situ study of C-C and O-H bond scission . https://www.osti.gov/biblio/1333206
  58. Posada-Perez, S. (2016). Highly Active Au/delta-MoC and Cu/delta-MoC Catalysts for the Conversion of CO2: The Metal/C Ratio as a Key Factor Defining Activity, Selectivity, and Stability . https://www.osti.gov/biblio/1326741
  59. Liu, F. (2016). A novel small molecule compound of Lithium Iodine and 3-Hydroxypropionitride as Solid-state Electrolyte for Lithium-Air Batteries. https://www.osti.gov/biblio/1326753
  60. Kattel, S. (2016). CO2 Hydrogenation over Oxide-Supported PtCo Catalysts: The Role of the Oxide Support in Determining the Product Selectivity . https://www.osti.gov/biblio/1333197
  61. Xie, Y. (2016). Water Oxidation by Ruthenium Complexes Incorporating Multifunctional Bipyridyl Diphosphonate Ligands . https://www.osti.gov/biblio/1333198
  62. Chen, G. (2016). Evaluation of Oxygen Reduction Activity by the Thin-Film Rotating Disk Electrode Methodology: the Effects of Potentiodynamic Parameters . https://www.osti.gov/biblio/1333204
  63. Plata, J. (2016). Cu Deposited on CeOx-Modified TiO2(110): Synergistic Effects at the Metal-Oxide Interface and the Mechanism of the WGS Reaction . https://www.osti.gov/biblio/1326740
  64. Li, H. (2016). Enhancing performance of PEM fuel cells: Using the Au nanoplatelet/Nafion interface to enable CO oxidation under ambient conditions . https://www.osti.gov/biblio/1336109
  65. Jimenez-Orozco, C. (2016). Systematic Theoretical Study of Ethylene Adsorption on delta-MoC(001), TiC(001), and ZrC(001) Surfaces . https://www.osti.gov/biblio/1326743
  66. Nguyen-Phan, T. (2016). Three-dimensional ruthenium-doped TiO2 sea urchins for enhanced visible-light-responsive H-2 production . https://www.osti.gov/biblio/1337641
  67. Liu, Z. (2016). Dry Reforming of Methane on a Highly-Active Ni-CeO2 Catalyst: Effects of Metal-Support Interactions on C-H Bond Breaking . https://www.osti.gov/biblio/1333199
  68. Craig, P. (2016). Electronic Spectra of the Tetraphenylcyclobutadienecyclopentadienylnickel(II) Cation and Radical. Journal Of Physical Chemistry A https://www.osti.gov/biblio/1255730
  69. DUan, L. (2016). Noninnocent Proton-Responsive Ligand Facilitates Reductive Deprotonation and Hinders CO2 Reduction Catalysis in [Ru(tpy)(6DHBP)(NCCH3)]2+ (6DHBP = 6,6ʹ-(OH)2bpy). Inorganic Chemistry https://www.osti.gov/biblio/1335424
  70. Zheng, D. (2016). Stability of the Solid Electrolyte Interface on the Li Electrode in Li-S Batteries . https://www.osti.gov/biblio/1336056
  71. Yu, H. (2016). Full-dimensional Quantum Calculations of Vibrational Levels of NH4+ and Isotopomers on An Accurate Ab Initio Potential Energy Surface. J. Phys. Chem. A https://www.osti.gov/biblio/1245399
  72. Wen, B. (2016). Li3Mo4P5O24: A Two-Electron Cathode for Lithium-Ion Batteries with Three-Dimensional Diffusion Pathways . https://www.osti.gov/biblio/1257965
  73. Blyth, D. (2016). Measurement of cosmic-ray muons and muon-induced neutrons in the Aberdeen Tunnel Underground Laboratory . https://www.osti.gov/biblio/1257960
  74. Bligaard, T. (2016). Toward Benchmarking in Catalysis Science: Best Practices, Challenges, and Opportunities . https://www.osti.gov/biblio/1257959
  75. Liu, W. (2016). A Highly-Active and Stable Hydrogen Evolution Catalyst Based on Pyrite-Structured Cobalt Phosphosulfide. Nature Communications https://www.osti.gov/biblio/1245394
  76. Mudiyanselage, K. (2016). How to stabilize highly active Cu+ cations in a mixed-oxide catalyst . https://www.osti.gov/biblio/1246791
  77. Garrick, T. (2016). The Effect of the Surface Composition of Ru-Pt Bimetallic Catalysts for Methanol Oxidation. Electrochimica Acta https://dx.doi.org/10.1016/j.electacta.2016.02.134
  78. Hoecker, J. (2016). Controlling Heteroepitaxy by Oxygen Chemical Potential: Exclusive Growth of (100) Oriented Ceria Nanostructures on Cu(111) . https://www.osti.gov/biblio/1303025
  79. Caliandro, R. (2016). Static and Dynamical Structural Investigations of Metal-Oxide Nanocrystals by Powder X-ray Diffraction: Colloidal Tungsten Oxide as a Case Study . https://www.osti.gov/biblio/1336039
  80. Mezyk, S. (2016). The role of organic solvent radical cations in separations ligand degradation . https://www.osti.gov/biblio/1329809
  81. Kim, H. (2016). Scalable Fabrication of Micron-Scale Graphene Nanomeshes for High-Performance Supercapacitor Applications. Energy & Environmental Science https://www.osti.gov/biblio/1335394
  82. von Krosigk, B. & Yeh, M. (2016). Measurement of Alpha-particle quenching in LAB based scintillator in independent small-scale experiments. European Physical Journal C https://www.osti.gov/biblio/1439848
  83. Liu, W. (2016). A highly active and stable hydrogen evolution catalyst based on pyrite-structured cobalt phosphosulfide . https://www.osti.gov/biblio/1247983
  84. Hack, J. (2016). Identification of Ion-Pair Structures in Solution by Vibrational Stark Effects . https://www.osti.gov/biblio/1247984
  85. Nguyen-Phan, T. (2016). Unraveling the Hydrogenation of TiO2 and Graphene Oxide/TiO2 Composites in Real Time by in Situ Synchrotron X-ray Powder Diffraction and Pair Distribution Function Analysis . https://www.osti.gov/biblio/1248809
  86. Holmes-Ross, H. (2016). Rotational and Angular Distributions of NO Products from NO-Rg(Rg = He, Ne, Ar) Complex Photodissociation. Journal of Chemical Physics https://www.osti.gov/biblio/1235882
  87. Zhang, T. (2016). Organic Pollutant Photodecomposition by Ag/KNbO3 Nanocomposites: A Combined Experimental and Theoretical Study . https://www.osti.gov/biblio/1247985
  88. Tian, X. (2016). Transition Metal Nitride Coated with Atomic Layers of Pt as a Low-Cost, Highly Stable Electrocatalyst for the Oxygen Reduction Reaction . https://www.osti.gov/biblio/1257951
  89. Posada-Perez, S. (2016). The conversion of CO2 to methanol on orthorhombic beta-Mo2C and Cu/beta-Mo2C catalysts: mechanism for admetal induced change in the selectivity and activity . https://www.osti.gov/biblio/1351739
  90. von Wald Cresce, A. (2016). Anion Solvation in Carbonate-Based Electrolytes. Journal of Physical Chemistry C. https://www.osti.gov/biblio/1335377
  91. Senanayake, S. (2016). Hydrogenation of CO2 to Methanol on CeOx/Cu(111) and ZnO/Cu(111) Catalysts: Role of the Metal-Oxide Interface and Importance of Ce3+ Sites . https://www.osti.gov/biblio/1246804
  92. Ho, J. (2016). Calculating Free Energy Changes in Continuum Solvation Models . https://www.osti.gov/biblio/1335434
  93. Ashenfelter, J. (2016). Background radiation measurements at high power research reactors . https://www.osti.gov/biblio/1235885
  94. Nguyen-Phan, T. (2016). Visible Light-Driven H-2 Production over Highly Dispersed Ruthenia on Rutile TiO2 Nanorods . https://www.osti.gov/biblio/1335401
  95. Sasaki, K. (2016). Synchrotron-Based In Situ Characterization of Carbon-Supported Platinum and Platinum Mono layer Electrocatalysts . https://www.osti.gov/biblio/1335400
  96. Porosoff, M. (2016). Catalytic reduction of CO2 by H-2 for synthesis of CO, methanol and hydrocarbons: challenges and opportunities . https://www.osti.gov/biblio/1335402
  97. Andringa, S. & Yeh, M. (2016). Current Status and Future Prospects of the SNO plus Experiment. Advances in High Energy Physics https://www.osti.gov/biblio/1439849
  98. Zheng, D. (2016). Reduction mechanism of sulfur in lithium-sulfur battery: From elemental sulfur to polysulfide . https://www.osti.gov/biblio/1235890
  99. Hwang, S. (2016). Enhancement of oxygen reduction reaction activities by Pt nanoclusters decorated on ordered mesoporous porphyrinic carbons . https://www.osti.gov/biblio/1302999

2015

  1. Yu, X. (2015). Strategies to curb structural changes of lithium/transition metaloxide cathode materials & the changes effects on thermal & cycling stability. Chinese Physics B https://www.osti.gov/biblio/1233371
  2. Hu, E. (2015). Utilizing Environmental Friendly Fe with Unique Electronic Structure as Substitution Element in Spinel Structured Cathode Material for Safer High Energy Lithium-ion Batteries. Advanced Energy Materials https://www.osti.gov/biblio/1229522
  3. Porosoff, M. (2015). Identifying Different Types of Catalysts for CO2 Reduction by Ethane through Dry Reforming and Oxidative Dehydrogenation . https://www.osti.gov/biblio/1246794
  4. An, W. (2015). Potassium-Induced Effect on the Structure and Chemical Activity of the CuxO/Cu(111) (x <= 2) Surface: A Combined Scanning Tunneling Microscopy and Density Functional Theory Study . https://www.osti.gov/biblio/1335403
  5. Campecino, J. (2015). A Semisynthetic Strategy Leads to Alteration of the Backbone Amidate Ligand in the NiSOD Active Site. Jacs https://www.osti.gov/biblio/1335404
  6. Armstrong, D. (2015). Standard electrode potentials involving radicals in aqueous solution: inorganic radicals (IUPAC Technical Report) . https://www.osti.gov/biblio/1335389
  7. Caliandro, R. (2015). Tailored multivariate analysis for modulated enhanced diffraction . https://www.osti.gov/biblio/1335384
  8. Getzoff, E. (2015). Structural, functional and immunogenic insights on Cu,Zn Superoxide Dismutase pathogenic virulence factors from Neisseria meningitidis and Brucella abortus. https://www.osti.gov/biblio/1235891
  9. Xu, S. (2015). Efficient Cp*Ir Catalysts with Imidazoline Ligands for CO2 Hydrogenation. Eur. J. Inorg. Chem, 5591-5594 https://www.osti.gov/biblio/1335387
  10. Estes, D. (2015). The Reaction of Cobaloximes with Hydrogen: Products and Thermodynamics. https://www.osti.gov/biblio/1183829
  11. Newton, M. (2015). Extension of Hopfield's Electron Transfer Model To Accommodate Site-Site Correlation. https://www.osti.gov/biblio/1335383
  12. Garg, K. (2015). Striking Differences of Properties of Geometric Isomers of [Ir(tpy)(ppy)H]+: Experimental and Computational Studies on their Hydricities, Interaction with CO2, and Photochemistry. https://www.osti.gov/biblio/1263904
  13. Min, S. (2015). Electrocatalytic Reduction of Carbon Dioxide with a Well-Defined PN3-Ru Pincer Complex . https://www.osti.gov/biblio/1248808
  14. Onishi, N. (2015). Direction to practical production of hydrogen by formic acid dehydrogenation with Cp*Ir complexes bearing imidazoline ligands. Catal. Sci. Tech. https://dx.doi.org/10.1039/c5cy01865j
  15. Senanayake, S. (2015). Surface Reactions of Ethanol over UO2(100) Thin Film. https://www.osti.gov/biblio/1235892
  16. Elbert, K. (2015). Elucidating Hydrogen Oxidation/Evolution Kinetics in Base and Acid by Enhanced Activities at the Optimized Pt Shell Thickness on the Ru Core . https://www.osti.gov/biblio/1235883
  17. Liu, P. (2015). Potassium-induced effect on structure and chemical activity of CuxO/Cu(111) (x<=2) surface: a combined STM and DFT study. ChemcatChem https://www.osti.gov/biblio/1224792
  18. Suarez, S. (2015). Do TFSA Anions Slither? Pressure Exposes the Role of TFSA Conformational Exchange in Self-Diffusion. Journal of Physical Chemistry B https://dx.doi.org/10.1021/acs.jpcb.5b08658
  19. Yue, J. (2015). O3-type Layered Transition Metal Oxide Na(NiCoFeTi)1/4O2 as a High Rate and Long Cycle Life Cathode Material for Sodium Ion Batteries. Journal of Materials Chemistry A https://dx.doi.org/10.1039/C5TA05769H
  20. Kelly, T. (2015). Decomposition pathways of C2 oxygenates on Rh-modified tungsten carbide surfaces. https://www.osti.gov/biblio/1224193
  21. Giacomo Asara, G. (2015). Exploring the activity of a novel Au/TiC(001) model catalyst towards CO and CO2 hydrogenation. https://www.osti.gov/biblio/1224763
  22. Pratt, A. (2015). Structural, functional and immunogenic insights on Cu,Zn Superoxide Dismutase pathogenic virulence factors from Neisseria meningitidis and Brucella abortus. https://www.osti.gov/biblio/1224775
  23. Rodriguez, J. (2015). Hydrogenation of CO2 to Methanol: Importance of Metal-Oxide and Metal-Carbide Interfaces in the Activation of CO2. https://www.osti.gov/biblio/1225435
  24. Nguyen-Phan, T. (2015). Striving Toward Noble-Metal-Free Photocatalytic Water Splitting: The Hydrogenated-Graphene-TiO2 Prototype . https://www.osti.gov/biblio/1232700
  25. Rodriguez, J. (2015). Structure and electronic properties of Cu nanoclusters supported on Mo2C(001) and MoC(001) surfaces. https://www.osti.gov/biblio/1224780
  26. An, W. (2015). Rationalization of Au concentration and distribution in AuNi@Pt core-shell nanoparticles for oxygen reduction reaction. ACS catalysis https://dx.doi.org/10.1021/acscatal.5b01656
  27. Zheng, D. (2015). Preferential Solvation of Lithium Cations and the Impacts on the Oxygen Reduction in Li-Air Batteries. https://www.osti.gov/biblio/1214540
  28. Graciani, J. (2015). When ruthenia met titania: achieving extraordinary catalytic activity at low temperature by nanostructuring of oxides. https://www.osti.gov/biblio/1234376
  29. Skripnikov, L. (2015). Further investigation of g factors for the lead monofluoride ground state. https://www.osti.gov/biblio/1222617
  30. Palomino, R. (2015). The effect of Fe-Rh alloying on CO hydrogenation to C2+ oxygenates . https://www.osti.gov/biblio/1228866
  31. Hunter, T. (2015). The structure of the Caenorhabditis elegans Manganese Superoxide Dismutase MnSOD-3-Azide complex. Protein Science https://dx.doi.org/10.1002/pro.2768
  32. Matheu, R. (2015). Intramolecular Proton Transfer Boosts Water Oxidation Catalyzed by a Ru Complex . https://www.osti.gov/biblio/1226070
  33. Suarez, S. (2015). Do TFSA Anions Slither? Pressure Exposes the Role of TFSA Conformational Exchange in Self-Diffusion. Journal of Physical Chemistry B https://dx.doi.org/10.1021/acs.jpcb.5b08658
  34. Hwang, S. (2015). Investigating the Reversibility of Structural Modifications of LixNiyMnzCo1−y−zO2 Cathode Materials during Initial Charge/Discharge at Multiple Length Scales. Chemistry of Materials https://dx.doi.org/10.1021/acs.chemmater.5b02457
  35. Hu, Y. (2015). A novel high capacity positive electrode material with tunnel-type structure for aqueous sodium-ion batteries. Advanced Energy Materials https://dx.doi.org/10.1002/aenm.201501005
  36. Meng, F. (2015). Biomass-Derived High-Performance Tungsten-Based Electrocatalysts on Graphene for Hydrogen Evolution. Journal of Materials Chemistry A https://dx.doi.org/10.1039/C5TA05589J
  37. Mani, T. (2015). Electron Localization of Anions Probed by Nitrile Vibrations. Journal of the American Chemical Society https://dx.doi.org/10.1021/jacs.5b04648
  38. Wang, W. (2015). CO2 Hydrogenation to Formate and Methanol as an Alternative to Photo- and Electrochemical CO2 Reduction. Chemical Reviews https://www.osti.gov/biblio/1214520
  39. Hu, J. (2015). Pt Monolayer Shell on Nitrided Alloy Core -A Path to Highly 7 Stable Oxygen Reduction Catalyst. Catalysts https://www.osti.gov/biblio/1213365
  40. Wang, W. (2015). Highly Robust Hydrogen Generation by Bio-Inspired Ir Complexes for Dehydrogenation of Formic Acid in Water: Experimental and Theoretical Mechanistic Investigations at Different pH. ACS Catalysis https://dx.doi.org/10.1021/acscatal.5b01090
  41. Zarzana, C. (2015). A Comparison of the gamma-Radiolysis of TODGA and T(EH)DGA Using UHPLC-ESI-MS Analysis . https://www.osti.gov/biblio/1240715
  42. Yang, X. & Chen, J. (2015). Low pressure CO2 hydrogenation to methanol over gold nanoparticles activated on a CeOx/TiO2 interface. Journal of the American Chemical Society https://dx.doi.org/10.1021/jacs.5b06150
  43. Johnson, P. (2015). Photo-assisted Intersystem Crossing: The predominant triplet formation mechanism in some Isolated Polycyclic Aromatic Molecules excited with pulsed lasers. https://www.osti.gov/biblio/1213379
  44. Yu, L. (2015). CO Oxidation on Gold-Supported Iron Oxides: New Insights into Strong Oxide-Metal Interactions . https://www.osti.gov/biblio/1222616
  45. Campecino, J. (2015). A Semisynthetic Strategy Leads to Alteration of the Backbone Amidate Ligand in the NiSOD Active Site . https://www.osti.gov/biblio/1224774
  46. Yang, X. (2015). Direct Epoxidation of Propylene over Stabilized Cu+ Surface Sites on Ti Modified Cu2O. Angewandte International Edition Chemie https://dx.doi.org/10.1002/anie.201504538
  47. Twagirayezu, S. (2015). Frequency-comb referenced spectroscopy of v4- and v5-excited hot bands in the 1.5 mu m spectrum of C2H2. Journal of Molecular Spectroscopy https://dx.doi.org/10.1016/j.jms.2015.06.010
  48. Wang, J. (2015). Ultralow charge-transfer resistance with ultralow Pt loading for hydrogen evolution and oxidation using Ru@Pt core-shell nanocatalysts. Scientific Reports https://www.osti.gov/biblio/1213359
  49. Buceta, D. (2015). Controlling Bimetallic Nanostructures by the Microemulsion Method with Subnanometer Resolution Using a Prediction Model. https://www.osti.gov/biblio/1214524
  50. Bo, S. (2015). Defect-Tolerant Diffusion Channels for Mg2+ Ions in Ribbon-Type Borates: Structural Insights into Potential Battery Cathodes MgVBO4 and MgxFe2-xB2O5 . https://www.osti.gov/biblio/1239784
  51. Liu, Z. (2015). Mechanistic Insights of Ethanol Steam Reforming over Ni-CeOx(111): The Importance of Hydroxyl Groups for Suppressing Coke Formation. The Journal of Physical Chemistry C https://dx.doi.org/10.1021/acs.jpcc.5b04310
  52. Zhou, Y. (2015). Oxygen Reduction at Very Low Overpotential on Nanoporous Ag Catalysts . https://www.osti.gov/biblio/1214526
  53. Nakayama, M. (2015). Influence of Cluster-Support Interactions on Reactivity of Size-Selected NbxOy Clusters. https://www.osti.gov/biblio/1224194
  54. Lei, W. (2015). Surface-Structure Sensitivity of CeO2 Nanocrystals in Photocatalysis and Enhancing the Reactivity with Nanogold . https://www.osti.gov/biblio/1222610
  55. Forthomme, D. (2015). Application of the Hartmann-Tran profile to precise experimental data sets of 12C2H2. Journal of Quantitative Spectroscopy and Radiative Transfer https://dx.doi.org/10.1016/j.jqsrt.2015.06.013
  56. Zaikowski, L. (2015). Charge Transfer Fluorescence and 34 nm Exciton Diffusion Length in Polymers with Electron Acceptor End Traps. https://www.osti.gov/biblio/1214521
  57. Xi, L. (2015). Transport of Triplet Excitons along Continuous 100 nm Polyfluorene Chains. https://www.osti.gov/biblio/1214522
  58. Hurst, J. (2015). Mechanistic Insight into Peroxydisulfate Reactivity: Oxidation of the cis,cis-[Ru(bpy)(2)(OH2)](2)O4+ Blue Dimmer. https://www.osti.gov/biblio/1214523
  59. Lukatskaya, M. (2015). Probing the mechanism of high capacitance in two-dimensional titanium carbide using in-situ X-Ray absorption spectroscopy. Advanced Energy Materials https://www.osti.gov/biblio/1188237
  60. Hwang, S. (2015). Using Real-Time Electron Microscopy To Explore the Effects of Transition-Metal Composition on the Local Thermal Stability in Charged Li(x)Nli(y)Mn(z)Co(1-y-z)O(2) Cathode Materials . https://www.osti.gov/biblio/1214525
  61. Fujita, E. (2015). Preface: Forum on Small Molecules Related to Carbon-Containing Fuels. https://www.osti.gov/biblio/1188265
  62. Matheu, R. (2015). Behavior of the Ru-bda Water Oxidation Catalyst Covalently Anchored on Glassy Carbon Electrodes. https://www.osti.gov/biblio/1221759
  63. Block, E. (2015). Implausibility of the vibrational theory of olfaction. https://www.osti.gov/biblio/1213361
  64. Rodriguez, J. (2015). The carburization of transition metal molybdates (MxMoO4, M= Cu, Ni or Co) and the generation of highly active metal/carbide catalysts for CO2 hydrogenation. Catalysis Letters https://dx.doi.org/10.1007/s10562-015-1540-5
  65. Lewandowska-Andralojc, A. (2015). Mechanistic Studies of Hydrogen Evolution in Aqueous Solution Catalyzed by a Tertpyridine-Amine Cobalt Complex. https://www.osti.gov/biblio/1213364
  66. Grills, D. (2015). Development of nanosecond time-resolved infrared detection at the LEAF pulse radiolysis facility. https://www.osti.gov/biblio/1183835
  67. Zhang, T. (2015). Insights into the structure-photoreactivity relationships in well-defined perovskite ferroelectric KNbO3 nanowires . https://www.osti.gov/biblio/1222609
  68. Zheng, D. (2015). Investigation of the Electrocatalytic Oxygen Reduction and Evolution Reactions in Lithium-Oxygen Batteries. https://www.osti.gov/biblio/1177850
  69. Rodriguez, J. (2015). Superior performance of Ni-W-Ce mixed-metal oxide catalysts for ethanol steam reforming: Synergistic effects of W- and Ni-dopants. Journal of Catalysis https://www.osti.gov/biblio/1183268
  70. Li, H. (2015). Effects of Mg Doping on Remarkably Enhanced Electrochemistry Performances of Na3V2(PO4)3 Cathode Material for Sodium Ion Batteries. https://www.osti.gov/biblio/1177849
  71. Yu, X. (2015). Direct observation of the redistribution of sulfur and polysufides in Li-S batteries during first cycle by in situ X-Ray fluorescence microscopy. Advanced Energy Materials https://dx.doi.org/10.1002/aenm.201500072
  72. Rodriguez, J. (2015). Pulse studies to decipher the role of surface morphology in CuO/CeO2 nanocatalysts for the water gas shift reaction. Catalysis Letters https://www.osti.gov/biblio/1183269
  73. Wang, Y. (2015). Ti substituted tunnel-type Na0.44MnO2 oxide as negative electrode for aqueous sodium-ion batteries. Nature Communications https://dx.doi.org/10.1038/ncomms7401
  74. Youn, H. (2015). High-Surface-Area Nitrogen-Doped Reduced Graphene Oxide for Electric Double-Layer Capacitors. ChemSusChem https://www.osti.gov/biblio/1177001
  75. Ruijun, H. (2015). Replacing Precious Metals with Carbide Catalysts for Hydrogenation Reactions. Topics in Catalysis https://dx.doi.org/10.1007/s11244-015-0365-1
  76. Manbeck, G. (2015). A Review of Iron and Cobalt Porphyrins, Phthalocyanines, and Related Complexes for Electrochemical and Photochemical Reduction of Carbon Dioxide. J. Porphyrins and Phthalocyanines https://www.osti.gov/biblio/1182538
  77. Forthomme, D. (2015). Doppler-Resolved Kinetics of Saturation Recovery. J Phys Chem A https://dx.doi.org/10.1021/acs.jpca.5b00628
  78. Carrasco, J. (2015). In Situ and Theoretical Studies for the Dissociation of Water on an Active Ni/CeO2 Catalyst: Importance of Strong Metal-Support Interactions for the Cleavage of O-H Bonds. https://www.osti.gov/biblio/1183857
  79. Zheng, D. (2015). Quantitative and Qualitative Determination of Polysulfide Species in the Electrolyte of Lithium-Sulfur Battery by HPLC ESI/MS with One-step Derivatization. Advanced Energy Materials https://dx.doi.org/10.1002/aenm.201401888
  80. Ma, W. (2015). Non-equilibrium oxidation states of zirconium during early stages of metal oxidation . https://www.osti.gov/biblio/1234379
  81. Yue, J. (2015). Discrete Li-occupation versus pseudo-continuous Na-occupation and their relationship with structural change behaviors in Fe2(MoO4)3. https://www.osti.gov/biblio/1182528
  82. Mahmood, Q. (2015). Unveiling Surface Redox Charge Storage of Interacting Two-Dimensional Hetero-Nanosheets in Hierarchical Architectures. ACS Nano Letters https://dx.doi.org/10.1021/nl504200y
  83. Ertem, M. (2015). Photoinduced Water Oxidation at the Aqueous GaN (101̅0) Interface: Deprotonation Kinetics of the First Proton-Coupled Electron-Transfer Step. https://www.osti.gov/biblio/1183858
  84. Liu, J. (2015). TiO2 nanotube arrays for photocatalysis: Effects of crystallinity, local order, and electronic structure . https://www.osti.gov/biblio/1221760
  85. Manbeck, G. (2015). Push or Pull? Proton Responsive Ligand Effects in Rhenium Tricarbonyl CO2 Reduction Catalysts. J. Physical Chemistry B https://dx.doi.org/%2010.1021/jp511131x
  86. Onishi, N. (2015). CO2 Hydrogenation Catalyzed by Iridium Complexes with a Proton-responsive Ligand. Inorganic Chemistry https://dx.doi.org/10.1021/ic502904q
  87. Xiao, J. (2015). Direct Observation of Sulfur Radicals as Reaction Media in Lithium Sulfur Batteries. https://www.osti.gov/biblio/1169566
  88. Concepcion, J. (2015). Mechanism of water oxidation by [Ru(bda)(L)(2)]: the return of the blue dimer. https://www.osti.gov/biblio/1183859
  89. Khalifah, P. (2015). Use of radial symmetry for the calculation of cylindrical absorption coefficients and optimal capillary loadings. https://www.osti.gov/biblio/1183834
  90. Zhou, J. (2015). Characterization of One-Dimensional Molecular Chains of 4,4'-Biphenyl Diisocyanide on Au(111) by Scanning Tunneling Microscopy. Journal of Chemical Physics https://www.osti.gov/biblio/1182489
  91. Yu, H. (2015). Multi-layer Lanczos iteration approach to calculations of vibrational energies and dipole transition intensities for polyatomic molecules. https://www.osti.gov/biblio/1182509
  92. Divins, N. (2015). The influence of nano-architectured CeOx supports in RhPd/CeO2 for the catalytic ethanol steam reforming reaction. Catalysis Today https://dx.doi.org/10.1016/j.cattod.2014.12.042
  93. Santhanagopalan, D. (2015). Effects of laser energy and wavelength on the analysis of LiFePO4 using laser assisted atom probe tomography . https://www.osti.gov/biblio/1182519
  94. Luo, S. (2015). Hierarchical Heterogeneity at the CeOx-TiO2 Interface: Electronic and Geometric Structural Influence on the Photocatalytic Activity of Oxide on Oxide Nanostructures. https://www.osti.gov/biblio/1188249
  95. Luo, S. (2015). Hierarchical Heterogeneity at the CeOx-TiO2 Interface: Electronic and Geometric Structural Influence on the Photocatalytic Activity of Oxide on Oxide Nanostructures. https://www.osti.gov/biblio/1183830
  96. Guo, Y. (2015). Uniform 2 nm gold nanoparticles supported on iron oxides as active catalysts for CO oxidation reaction: structure-activity relationship. https://www.osti.gov/biblio/1213360
  97. Maroney, M. (2015). Nickel Superoxide Dismutase: Structural and Functional Roles of His1 and its H-bonding Network. Biochemistry https://dx.doi.org/10.1021/bi501258u
  98. Mani, T. (2015). Vibrational Stark Effects To Identify Ion Pairing and Determine Reduction Potentials in Electrolyte-Free Environments. https://www.osti.gov/biblio/1183827
  99. Vogt, L. (2015). Computational Insights on Crystal Structures of the Oxygen-Evolving Complex of Photosystem II with Either Ca2+ or Ca2+ Substituted by Sr2+. https://www.osti.gov/biblio/1183828

2014

  1. Yu, H. & Yu, H. (2014). A complex guided spectral transform Lanczos method for studying quantum resonance states. https://www.osti.gov/biblio/1182481
  2. Hu, E. (2014). Thermal stability in the blended lithium manganese oxide - Lithium nickel cobalt manganese oxide cathode materials: An in situ time-resolved X-Ray diffraction and mass spectroscopy study. Journal of Power Sources https://dx.doi.org/10.1016/j.jpowsour.2014.12.015
  3. Liu, C. (2014). Mechanistic Study of Methanol Synthesis from CO2 and H-2 on a Modified Model Mo6S8 Cluster. https://www.osti.gov/biblio/1183833
  4. Zhang, L. (2014). Sphere-Shaped Hierarchical Cathode with Enhanced Growth of Nanocrystal Planes for High-Rate and Cycling-Stable Li-Ion Batteries. https://www.osti.gov/biblio/1182479
  5. Mudiyanselage, K. & Stacchiola, D. (2014). Adsorbate-driven morphological changes on Cu(111) nano-pits. Physical Chemistry Chemical Physics https://dx.doi.org/10.1039/C4CP05088F
  6. Teixeira, M. (2014). Superoxide reduction by a superoxide reductase lacking the highly conserved lysine residue. https://www.osti.gov/biblio/1182506
  7. Huang, X. (2014). Insight into the Atomic Structure of High-Voltage Spinel 2 LiNi0.5Mn1.5O4 Cathode Material. https://www.osti.gov/biblio/1169558
  8. Zheng, D. (2014). Quantitative Chromatographic Determination of Dissolved Elemental Sulfur in the Non-aqueous Electrolyte for Lithium-Sulfur Batteries. https://www.osti.gov/biblio/1172108
  9. Shaikh, N. (2014). Decomposition of amino diazeniumdiolates (NONOates): Molecular mechanisms . https://www.osti.gov/biblio/1169029
  10. Zhou, Y. (2014). Tuning charge-discharge induce Q1 d unit cellbreathing through metal-metal bonding inlayer-structured cathode materials for lithium-ionbatteries. Nature Communications https://dx.doi.org/10.1038/ncomms6381
  11. Zhou, Y. (2014). FeO 0.7 F 1.3 /C Nanocomposite as a High-Capacity Cathode Material for Sodium-Ion Batteries. https://www.osti.gov/biblio/1169557
  12. Sun, Y. (2014). Synthesis of Pd9Ru@Pt nanoparticles for oxygen reduction reaction in acidic electrolytes. https://www.osti.gov/biblio/1183838
  13. Suna, Y. (2014). Positional Effects of Hydroxy Groups on Catalytic Activity of Proton-Responsive Half-Sandwich Cp*Iridium(III) Complexes. https://www.osti.gov/biblio/1182539
  14. Kuttiyiel, K. (2014). Au-Promoted Structurally Ordered Intermetallic PdCo Nanoparticles for the Oxygen Reduction Reaction. https://www.osti.gov/biblio/1182508
  15. Yoon, W. (2014). In situ soft XAS study on nickel-based layered cathode material at elevated temperatures: A novel approach to study thermal stability . https://www.osti.gov/biblio/1169028
  16. Wang, Q. (2014). Kinetic investigation of catalytic disproportionation of superoxide ions in the non-aqueous electrolyte used in Li-air batteries. https://www.osti.gov/biblio/1177851
  17. Kharche, N. (2014). First-Principles Approach to Calculating Energy Level Alignment at Aqueous Semiconductor Interfaces . https://www.osti.gov/biblio/1182496
  18. Li, X. (2014). O3-type Na(Mn0.25Fe0.25Co0.25Ni0.25)O2: a quaternary layered cathode compound for rechargeable Na ion batteries. Electrochemistry Communications https://dx.doi.org/10.1016/j.elecom.2014.10.003
  19. Wang, J. (2014). Can CO-tolerant Anodes be Economically Viable for PEMFC Applications with Reformates?. https://www.osti.gov/biblio/1169026
  20. Amaresh, S. (2014). Metal Oxide Coated Lithium Cobalt Fluorophosphate Cathode Materials for Lithium Secondary Batteries-Effect of Aging and Temperature. https://www.osti.gov/biblio/1149438
  21. Lee, S. (2014). Preparation and Characterization of Chlorine Doped Li3V2(PO4)3 as High Rate Cathode Active Material for Lithium Secondary Batteries. https://www.osti.gov/biblio/1149439
  22. Guo, Y. (2014). Sodium iron hexacyanoferrate with high Na content as a Na-rich cathode material for Na-ion batteries. Nano Research https://dx.doi.org/10.1007/s12274-014-0588-7
  23. Brasch, N. (2014). Pulse Radiolysis Studies of the Reaction of Nitrogen Dioxide with the Vitamin B12 Complexes Cob(II)alamin and Nitrocobalamin. https://www.osti.gov/biblio/1182504
  24. Yang, X. (2014). A new class of electrocatalysts of supporting Pt on an Engel-Brewer alloy substrate: a demonstration for oxidation of ethylene glycol. https://www.osti.gov/biblio/1160052
  25. Yang, X. (2014). A new class of electrocatalysts of supporting Pt on an Engel-Brewer alloy substrate: a demonstration for oxidation of ethylene glycol . https://www.osti.gov/biblio/1165959
  26. Cave, R. (2014). Multistate Treatments of the Electronic Coupling in Donor-Bridge-Acceptor Systems: Insights and Caveats from a Simple Model. https://www.osti.gov/biblio/1165689
  27. Sekharan, S. (2014). QM/MM Model of the Mouse Olfactory Receptor MOR244-3 Validated by Site-Directed Mutagenesis Experiments . https://www.osti.gov/biblio/1162385
  28. Chen, W. (2014). Tungsten Carbide-Nitride on Graphene Nanoplatelets as a Durable Hydrogen Evolution Electrocatalyst. https://www.osti.gov/biblio/1165732
  29. Whiteley, J. (2014). Empowering the Lithium Metal Battery through a Silicon-Based Superionic Conductor. https://www.osti.gov/biblio/1165731
  30. Roller, J. (2014). Flame-Based Synthesis of Core-Shell Structures Using Pd-Ru and Pd Cores. https://www.osti.gov/biblio/1165688
  31. Roller, J. (2014). Flame-Based Synthesis of Core-Shell Structures Using Pd-Ru and Pd Cores. https://www.osti.gov/biblio/1165966
  32. Roller, J. (2014). Flame-Based Synthesis of Core-Shell Structures Using Pd-Ru and Pd Cores . https://www.osti.gov/biblio/1165691
  33. Tang, P. (2014). The microwave adsorption behavior and microwave-assisted heteroatoms doping of graphene-based nano-carbon materials . https://www.osti.gov/biblio/1163937
  34. Asara, G. (2014). New Insights into the Structure of the C-Terminated beta-Mo2C (001) Surface from First-Principles Calculations . https://www.osti.gov/biblio/1160056
  35. Weissenrieder, J. (2014). Reactivity and Mass Transfer of Low-Dimensional Catalysts . https://www.osti.gov/biblio/1172079
  36. Mudiyanselage, K. (2014). Isolation and characterization of formates on CeOx-CuyO/Cu(111) . https://www.osti.gov/biblio/1169561
  37. Xu, F. (2014). Redox-Mediated Reconstruction of Copper during Carbon Monoxide Oxidation. https://www.osti.gov/biblio/1160031
  38. Kim, J. (2014). Analysis of Charged State Stability for Monoclinic LiMnBO3 Cathode. https://www.osti.gov/biblio/1160027
  39. Magee, J. (2014). Promotion of Pt surfaces for ethanol electro-oxidation by the addition of small SnO2 nanoparticles: Activity and mechanism. https://www.osti.gov/biblio/1149080
  40. Ma, J. (2014). Molybdenum Substitution for Improving the Charge Compensation and Activity of Li2MnO3. https://www.osti.gov/biblio/1160030
  41. Kottas, G. (2014). Tetraarylcyclobutadienecyclopentadienylcobalt Complexes: Synthesis, Electronic Spectra, Magnetic Circular Dichroism, Linear Dichroism, and TD DFT Calculations. https://www.osti.gov/biblio/1160040
  42. Beriguete, W. (2014). Production of a gadolinium-loaded liquid scintillator for the Daya Bay reactor neutrino experiment . https://www.osti.gov/biblio/1165692
  43. Buceta, D. (2014). Critical Size Range of Sub-Nanometer Au Clusters for the Catalytic Activity in the Hydrogen Oxidation Reaction. https://www.osti.gov/biblio/1165965
  44. Buceta, D. (2014). Critical Size Range of Sub-Nanometer Au Clusters for the Catalytic Activity in the Hydrogen Oxidation Reaction . https://www.osti.gov/biblio/1160028
  45. Akimov, A. (2014). Coherence penalty functional: A simple method for adding decoherence in Ehrenfest dynamics . https://www.osti.gov/biblio/1149120
  46. Bo, S. (2014). Thin-Film and Bulk Investigations of LiCoBO3 as a Li-Ion Battery Cathode . https://www.osti.gov/biblio/1160042
  47. Kelly, T. (2014). Theoretical and Experimental Studies of Ethanol Decomposition and Electrooxidation over Pt-Modified Tungsten Carbide. https://www.osti.gov/biblio/1160041
  48. Kelly, T. (2014). Theoretical and Experimental Studies of Ethanol Decomposition and Electrooxidation over Pt-Modified Tungsten Carbide. https://www.osti.gov/biblio/1132501
  49. Liu, J. (2014). Ionic Conduction in Cubic Na3TiP3O9N, a Secondary Na-Ion Battery Cathode with Extremely Low Volume Change . https://www.osti.gov/biblio/1149119
  50. Baber, A. (2014). Stabilization of Catalytically Active Cu+ Surface Sites on Titanium-Copper Mixed-Oxide Films. https://www.osti.gov/biblio/1149128
  51. Wan, W. (2014). Tuning the electrochemical performances of anthraquinone organic cathode materials for Li-ion batteries through the sulfonic sodium functional group . https://www.osti.gov/biblio/1149121
  52. Cheng, W. (2014). Non-precious metal electrocatalysts with high activity for hydrogen oxidation reaction in alkaline electrolytes. https://www.osti.gov/biblio/1149081
  53. Kim, D. (2014). Effect of H2O on the Morphological Changes of KNO3 Formed on K2O/Al2O3 NOx Storage Materials: Fourier Transform Infrared and Time-Resolved X-ray Diffraction Studies . https://www.osti.gov/biblio/1131641
  54. Polyansky, D. (2014). Application of Pulse Radiolysis to Mechanistic Investigations of Water Oxidation Catalysis. https://www.osti.gov/biblio/1149890
  55. Holroyd, R. (2014). Pressure tuning of electron attachment to benzoquinoes in Nonpolar fluids: Continuous adjustment to free energy changes. The Journal of Physical Chemistry https://dx.doi.org/10.1021/jp412090k
  56. Vukmirovic, M. (2014). Pt monolayer shell on hollow Pd core electrocatalysts: scale up synthesis, structure, and activity for the oxygen reduction reaction. https://www.osti.gov/biblio/1124568
  57. Zhang, Y. (2014). High Performance Pt Mono layer Catalysts Produced via Core-Catalyzed Coating in Ethanol . https://www.osti.gov/biblio/1131642
  58. Akimov, A. (2014). Advanced Capabilities of the PYXAID Program: Integration Schemes, Decoherenc:e Effects, Multiexcitonic States, and Field-Matter Interaction . https://www.osti.gov/biblio/1130446
  59. Yu, X. (2014). Identifying the Critical Role of Li Substitution in P2-Nax(LiyNixMn1-y-z)O2(0 < x, y, z <1) Intercalation Cathode Materials for High Energy Na-ion Batteries. Chemistry of Materials https://www.osti.gov/biblio/1124553
  60. Kim, J. (2014). Unexpected high power performance of atomic layer deposition coated Li(Ni1/3Mn1/3C01/3)O2 cathodes. https://www.osti.gov/biblio/1124555
  61. Guzman-Blas, R. (2014). EDTA-Ce(111) Modified Pt Vulcan CX-72 Catalyst Synthesis for Methanol Oxidation in Acid Solution. https://www.osti.gov/biblio/1132461
  62. Axnanda, S. (2014). In Situ Characterizations of Nanostructured SnOx/Pt(111) Surfaces Using Ambient-Pressure XPS (APXPS) and High-Pressure Scanning Tunneling Microscopy (HPSTM) . https://www.osti.gov/biblio/1130447
  63. Trimithioti, M. (2014). Analysis of depolarization ratios of CINO2 dissolved in methanol. https://www.osti.gov/biblio/1132459
  64. Lopez, I. (2014). A Self-Improved Water Oxidation Catalyst: Is One Really Enough?. https://www.osti.gov/biblio/1123661

2013

  1. Xu, Z. (2013). Nanoscale Lamellar Monoclinic Li2MnO3 Phase with Stacking Disordering in Lithium-Rich and Oxygen-Deficient Li1.07O4-0 Cathode Materials. https://www.osti.gov/biblio/1124573
  2. Lucier, B. (2013). Unravelling the Structure of Magnus' Pink Salt . https://www.osti.gov/biblio/1130445
  3. Zamadar, M. (2013). Giant infrared absorption bands of electrons and holes in conjugated molecules. https://www.osti.gov/biblio/1123660
  4. Lee, S. (2013). Structural Changes in Reduced Graphene Oxide upon MnO2 Deposition by the Redox Reaction between Carbon and Permanganate Ions. The Journal of Physical Chemistry https://dx.doi.org/10.1021/jp411176b
  5. Bakalis, J. (2013). Polarons, Compressed Polarons, and Bipolarons in Conjugated Polymers. https://www.osti.gov/biblio/1132458
  6. Wang, L. (2013). Quantized Hamiltonian dynamics captures the low-temperature regime of charge transport in molecular crystals. https://www.osti.gov/biblio/1129003
  7. Kuttiyiel, K. (2013). Core-shell, hollow-structured iridium-nickel nitride nanoparticles for the hydrogen evolution reaction. https://www.osti.gov/biblio/1129004
  8. Grimminger, R. (2013). An experimental and theoretical study of the electronic spectrum of HPS a second row HNO analog. https://www.osti.gov/biblio/1124560
  9. Hu, Y. (2013). Origin of additional capacities in metal oxide lithium-ion battery electrodes. https://www.osti.gov/biblio/1117487
  10. Cao, B. (2013). Mixed close-packed cobalt molybdenum nitrides as non-noble metal electrocatalysts for the hydrogen evolution reaction. https://www.osti.gov/biblio/1127417
  11. Baber, A. (2013). In Situ Imaging of Cu2O under Reducing Conditions: Formation Metallic Fronts by Mass Transfer. https://www.osti.gov/biblio/1124562
  12. Matsubara, Y. (2013). Formation of n2-Coordinated Dihydropyridine-Ruthenium(II)Complexes by Hydride Transfer from Ruthenium(II)to Pyridinium Cations. https://www.osti.gov/biblio/1123649
  13. Badiei, Y. (2013). Cp*Co(III) Catalysts with Proton-Responsive Ligands for Carbon Dioxide Hydrogenation in Aqueous Media. https://www.osti.gov/biblio/1124561
  14. Pal, R. (2013). S0-State Model of the Oxygen-Evolving Complex of Photosystem II. https://www.osti.gov/biblio/1126602
  15. Akimov, A. (2013). The PXYAID Program for Non-Adiabatic Molecular Dynamics in Condensed Matter Systems. https://www.osti.gov/biblio/1123655
  16. Janssen, Y. (2013). Reciprocal Salt Flux Growth of LiFePO4 Single Crystals with Controlled Defect Concentrations. https://www.osti.gov/biblio/1124559
  17. Cheon, J. (2013). Ordered mesoporous porphyrinic carbons with very high electrocatalytic activity for the oxygen reduction reaction. https://www.osti.gov/biblio/1110767
  18. Yu, X. (2013). A Size-Dependent Sodium Storage Mechanism in Li4Ti5O12 Investigated by a Novel Characterization Technique Combining in Situ X‑ray Diffraction and Chemical Sodiation. https://www.osti.gov/biblio/1127031
  19. Liu, J. (2013). Divalent Iron Nitridophosphates: A New Class of Cathodes Materials for Li-ion Batteries. https://www.osti.gov/biblio/1122777
  20. Wang, H. (2013). 3D Honeycombed-Like Structured Graphene and Its High Efficiency as a Counter-Electrode Catalyst for Dye-Sensitized Solar Cells. https://www.osti.gov/biblio/1117483
  21. Wang, Y. (2013). A zero-strain layered metal oxide as the negative electrode for long-life sodium-ion batteries. https://www.osti.gov/biblio/1127026
  22. Gong, K. (2013). Metalizing carbon nanotubes with Pd-Pt core-shell nanowires enhances electrocatalytic activity and stability in the oxygen reduction reaction . https://www.osti.gov/biblio/1151407
  23. Aharmim, B. (2013). Combined analysis of all three phases of solar neutrino data from the Sudbury Neutrino Observatory B.. https://www.osti.gov/biblio/1126597
  24. Wang, L. (2013). Design of Medium Band Gap Ag-Bi-Nb-O and Ag-Bi-Ta-O Semiconductors for Driving Direct Water Splitting with Visible Light. https://www.osti.gov/biblio/1127029
  25. Johnson, P. (2013). Enhancement of Triplet Stability in Benzene by Substituents with Triple Bonds. https://www.osti.gov/biblio/1117480
  26. Chen, W. (2013). Recent developments in transition metal carbides and nitrides as hydrogen evolution electrocatalysts. https://www.osti.gov/biblio/1127033
  27. Cook, A. & Cook, A. (2013). Rapid Step Capture of Holes in Chloroform during Pulse Radiolysis. https://www.osti.gov/biblio/1129001
  28. Izquierdo, J. (2013). Development of Mg2= Ion-Selective Microelectrodes for Potentiometric Scanning Electrochemical Microscopy Monitoring of Galvanic Corrosion Processes. https://www.osti.gov/biblio/1122778
  29. Zhong, D. (2013). Diminished photoisomerization of active ruthenium water oxidation catalyst by anchoring to metal oxide electrodes. https://www.osti.gov/biblio/1126598
  30. An, W. (2013). Size and Shape Effects of Pd@Pt Core-Shell Nanoparticles: Unique Role of Surface Contraction and Local Structural Flexibility. https://www.osti.gov/biblio/1127024
  31. Mudiyanselage, K. (2013). Probing adsorption sites for CO on ceria. https://www.osti.gov/biblio/1117484
  32. Reinert, A. (2013). Synthesis and Characterization of Visible Light Absorbing (GaN)(1-x)(ZnO)(x) Semiconductor Nanorods. https://www.osti.gov/biblio/1117486
  33. Lewandowska-Andralojc, A. (2013). Enabling light-driven water oxidation via a low-energy RuIVQO intermediate. https://www.osti.gov/biblio/1110744
  34. Choi, Y. (2013). Enhanced Oxygen Reduction Activity of IrCu Core Platinum Monolayer Shell Nano-electrocatalysts. https://www.osti.gov/biblio/1127027
  35. Porosoff, M. (2013). Challenges and opportunities in correlating bimetallic model surfaces and supported catalysts. https://www.osti.gov/biblio/1132460
  36. Hemant, H. (2013). Structure of 1-Alky 1-1-methylprrolidinium Bis(trifluoromethylsulfonyl)a mide Ionic Liquids with Linear, Branched, and Cyclic Alkyl Groups. https://www.osti.gov/biblio/1127413
  37. Xiao, J. (2013). Interplay between two-phase and solid solution reactions in high voltage spinel cathode material for lithium ion batteries. https://www.osti.gov/biblio/1109510
  38. Canonica, L. (2013). Rejection of surface background in thermal detectors: The Absurd project. https://www.osti.gov/biblio/1127415
  39. Akimov, A. (2013). Nonadiabatic Dynamics of Positive Charge during PhotocatalyticWater Splitting on GaN(10-10) Surface: Charge Localization GovernsSplitting Efficiency. https://www.osti.gov/biblio/1093205
  40. Flege, J. (2013). Growth mode and oxidation state analysis of individual cerium oxide islands on Ru(0001). https://www.osti.gov/biblio/1110743
  41. Kundu, S. (2013). Ethanol Photoreaction on RuOx/Ru-Modified TiO2(110). https://www.osti.gov/biblio/1093213
  42. Blyth, S. (2013). An apparatus for studying spallation neutrons in the Aberdeen Tunnel laboratory. https://www.osti.gov/biblio/1110739
  43. Piper, L. (2013). Elucidating the Nature of Pseudo Jahn−Teller Distortions in LixMnPO4: Combining Density Functional Theory with Soft and Hard X‑ray Spectroscopy. https://www.osti.gov/biblio/1093215
  44. Kuttiyiel, K. (2013). Pt monolayer on Au-stabilized PdNi core-shell nanoparticles for oxygen reduction reaction. https://www.osti.gov/biblio/1129005
  45. Wilson, D. (2013). Final State Distributions of the Radical Photoproducts from the UV Photooxidation of 2‑Butanone on TiO2(110). https://www.osti.gov/biblio/1093798
  46. Muckerman, J. (2013). Toward the accurate calculation of pKa vaules in water and acetonitrile. https://www.osti.gov/biblio/1110752
  47. Karthikeyan, K. (2013). Preparation and Cyclic Performance of Li1.2(Fe0.16Mn0.32Ni0.32)O2 Layered Cathode Material by the Mixed Hydroxide Method. https://www.osti.gov/biblio/1108584
  48. Karthikeyan, K. (2013). Preparation and Cyclic Performance of Li1.2(Fe0.16Mn0.32Ni0.32)O2 Layered Cathode Material by the Mixed Hydroxide Method. https://www.osti.gov/biblio/1127028
  49. Carrasco, J. (2013). Theoretical Studies of the Adsorption of CO and C on Ni(111) and Ni/ CeO2(111): Evidence of a Strong Metal−Support Interaction. https://www.osti.gov/biblio/1108583
  50. Zhang, Y. (2013). Hollow core supported Pt monolayer catalysts for oxygen reduction. https://www.osti.gov/biblio/1079385
  51. Shen, P. & White, M. (2013). Photocatalytic activity of hydrogen evolution over Rh doped SrTiO3 prepared by polymerizable complex method. https://www.osti.gov/biblio/1117479
  52. Ertem, M. (2013). Functional Role of Pyridinium during Aqueous Electrochemical Reduction of CO2 on Pt(111). https://www.osti.gov/biblio/1088202
  53. Lee, Y. (2013). Li(Mn1/3Ni1/3Fe1/3)O2ePolyaniline hybrids as cathode active material with ultra-fast chargeedischarge capability for lithium batteries. https://www.osti.gov/biblio/1079395
  54. Ding, J. (2013). Electrochemical properties of P2-phase Na0.74CoO2 compounds as cathode material for rechargeable sodium-ion batteries. https://www.osti.gov/biblio/1076945