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Electron-Ion Collider

Support Orgs | Dept. Codes

Structure and Dynamics of Applied Nanomaterials

List includes publications of the Frenkel group funded at Stony Brook University. Publications from research funded at BNL are labeled (Funded at BNL).

2022

T. Han, Y. Li, Y. Cao, I. Lee, X. Zhou, A. I. Frenkel, F. Zaera
In situ identification of surface sites in Cu-Pt bimetallic catalysts: Gas-induced metal segregation
J. Chem. Phys. 157, 234706 (2022) https://doi.org/10.1063/5.0130431
Y. Zhang, D. T. Tran, D. Baker, S. Zhang, T. Wang, S. Hwang, E. Schulman, J. Fu, W. Zheng, D. G. Vlachos, J. Qi, P. Christopher, Y. Liu, A. I. Frenkel, D. Liu
Differentiating supported platinum single atoms, clusters and nanoparticles by styrene hydrogenation
Molecular Catalysis 531, 112709 (2022) https://doi.org/10.1016/j.mcat.2022.112709
A. Cohen, H. Cohen, S. Cohen, S. Khodorov, Y. Feldman, A. Kossoy, I. Kaplan-Ashin, A. I. Frenkel, E. Wachtel, I. Lubomirsky, D. Ehre
C-Axis-textured, 2-3 um thick Al0.75Sc0.25N films grown on chemically formed TiN/Ti seeding layers for MEMS applicaitons
Sensors 22, 7041 (2022) https://doi.org/10.3390/s22187041
H. Wang, N. Rui, S. D. Senanayake, L. Zhang, Y. Li, A. I. Frenkel
Tuning the placement of Pt “single atoms” on a mixed CeO₂-TiO₂ support
J. Phys. Chem. C 126, 16187-16193 (2022) https://doi.org/10.1021/acs.jpcc.2c05198 (Funded at BNL)
Y. Liu, M. Xie, N. Marcella, A. C. Foucher, E. A. Stach, M. R. Knecht, A. I. Frenkel
Z-contrast enhancement in Au-Pt nanocatalysts by correlative X-ray absorption spectroscopy and electron microscopy: Implications for composition determination
ACS Appl. Nano Mater. 5, 8775-8782 (2022) https://doi.org/10.1021/acsanm.2c00393
R. Ume, H. Gong, V. Tokranov, M. Yakimov, K. Brew, G. Cohen, C. Lavoie, S. Schujman, J. Liu, A. I. Frenkel, K. Beckmann, N. Cady, S. Oktyabrsky
Electrical and structural properties of binary Ga-Sb phase change memory alloys
J. Appl. Phys. 132, 035103 (2022) https://doi.org/10.1063/5.0096022
P. Huang, J. Huang, J. Li, T. D. Pham, L. Zhang, J. He, G. W. Brudwig, N. A. Deskins, A. I. Frenkel, G. Li
Revealing the structure of single Cobalt sites in Carbon Nitride for photocatalytic CO2 reduction.
J. Phys. Chem. C. 126, 8596-8604 (2022) https://doi.org/10.1021/acs.jpcc.2c01216
L. Song, Y. Cai, Y. Liu, X. Zhao, K. Kuthyiel, N. Marinkovic, A. I. Frenkel, A. Kongkanand, Y. Choi, R. R. Adzic, K. Sasaki
One-step facile synthesis of high activity nitrogen-doped PtNiN oxygen reduction catalyst
ACS Appl. Energy Mater. 5, 5245-5255 (2022) https://doi.org/10.1021/acsaem.2c00631 (Funded at BNL)
E. Makagon, J. Li, Y. Li, E. Wachtel, A. I. Frenkel, I. Lubomirsky
Choosing the metal for an electro-chemo-mechanical actuator working body
Solid State Ionics 379, 115913 (2022) https://doi.org/10.1016/j.ssi.2022.115913
J. Liu and A. I. Frenkel
Multiple – scattering EXAFS analysis
in: X-ray Absorption Spectroscopy and Related Techniques,
Int. Tables Crystallogr. I, 2022 https://doi.org/10.1107/S1574870721010922
Y. Li , J. J. Rehr, R. G. Nuzzo, and A. I. Frenkel
Nanoclusters
in: X-ray Absorption Spectroscopy and Related Techniques,
Int. Tables. Crystallogr. I, 2022 https://doi.org/10.1107/S1574870720004723
J. D. Lee, J. B. Miller, A. V. Shneidman, L. Sun, J. F. Weaver, J. Aizenberg, J. Biener, J. A. Boscoboinik, A. C. Foucher, A. I. Frenkel, B. Kozinsky, N. Marcella, M M. Montemore, H. T. Ngan, C. R. O’Connor, P. Sautet, D. J. Stacchiola, E. A. Stach, R. J. Madix, C. M. Friend
Dilute alloys based on Au, Ag or Cu for efficient catalysis: from synthesis to active sites
Chemical Reviews 122, 8758-8808 (2022) https://doi.org/10.1021/acs.chemrev.1c00967
B. Zhang, S. Xiang, A. I. Frenkel, I. E. Wachs
Molecular design of supported MoOx catalysts with surface TaO_x promotion for olefin methathesis
ACS Catalysis 12, 3226-3237 (2022) https://doi.org/10.1021/acscatal.1c06000
J. Fu, S. Liu, W Zheng, R. Huang, C. Wong, A. Lawal, K. Alexopoulos, S. Liu, Y. Wang, K. Yu, J. A. Boscoboinik, Y. Liu, X. Liu, A. I. Frenkel, O. A. Abdelrahman, R. J. Gorte, S. Caratzoulas, D. G. Vlachos
Modulating the dynamics of Bronsted acid sites on PtWO_x inverse catalyst
Nature Catalysis 5, 144-153 (2022) https://doi.org/10.1038/s41929-022-00745-y (Funded at BNL)
N. Marcella, J. S. Lim, A. M. Plonka, G. Yan, C. J. Owen, J. E. S. van der Hoeven, A. C. Foucher, H. T. Ngan, S. B. Torrisi, N. S. Marinkovic, E. A. Stach, J. F. Weaver, J. Aizenberg, P. Sautet, B. Kozinsky, A. I. Frenkel
Decoding reactive structures in dilute alloy catalysts
Nature Commun. 13, 832 (2022) https://doi.org/10.1038/s41467-022-28366-w
Featured in Editors’ Highight, 2022
S. Xiang, P. Huang, J. Li, Y. Liu, N. Marcella, P. K. Routh, G. Li, A. I. Frenkel
Solving the structure of “single-atom” catalysts using machine learning – assisted XANES analysis
Phys. Chem. Chem. Phys. 24, 5116-5124 (2022) https://doi.org/10.1039/D1CP05513E
A. C. Foucher, N. Marcella, J. D. Lee, R. Tappero, C. B. Murray, A. I. Frenkel, E. A. Stach
Dynamical change of valence states and structure in NiCu3 nanoparticles during redox cycling
J. Phys. Chem. C 126, 1991-2002 (2022) https://doi.org/10.1021/acs.jpcc.1c10824 (Funded at BNL)
H. J. Sokol, A. M. Ebrahim, S. Caratzoulas, A. I. Frenkel, J. A. Valla
In-situ XAFS, XRD and DFT characterization of the sulfur adsorption sites on Cu and Ce exchanged Y zeolites
J. Phys. Chem. C 126, 1496-1512 (2022) https://doi.org/10.1021/acs.jpcc.1c09128
Q. Hua, K. E. Madsen, A. M. Esposito, X. Chen, T. J. Woods, R. T. Haasch, S. Xiang, A. I. Frenkel, T. T. Fister, A. A. Gewirth
Effect of support on oxygen reduction reaction activity of supported-iron porphyrins
ACS Catalysis 12, 1139-1149 (2022) https://doi.org/10.1021/acscatal.1c04871

2021

E. Makagon, S. Khodorov, A. I. Frenkel, L. Chernyak, I. Lubomirsky
Noncontact optical displacement measurements by dynamic contrast auto focusing for slow oscillatory motion
Opt. Eng. 60, 124112 (2021) https://doi.org/10.1117/1.OE.60.12.124112
A. C. Foucher, N. Marcella, J. D. Lee, D. Rosen, R. Tappero, C. B. Murray, A. I. Frenkel, E. A. Stach
Structural and valence state modification of cobalt in CoPt nano-catalysts in redox conditions
ACS Nano15, 20619-20632 (2021) https://doi.org/10.1021/acsnano.1c09450 (Funded at BNL)
C. Vogt, F. Meirer, M. Monai, E. Groeneveld, D. Ferri, R. A. van Santen, M. Nachtegaal, R. R. Unocic, A. I. Frenkel, B. M. Weckhuysen
Dynamic restructuring of supported metal nanoparticles and its implication for structure insensitive catalysis
Nature Commun. 12, 7096 (2021) https://doi.org/10.1038/s41467-021-27474-3
Y. Liu, A. Halder, S. Seifert, N. Marcella, S. Vajda, A. I. Frenkel
Probing active sites in Cu_xPd_y cluster catalysts by machine – learning – assisted X-ray absorption spectroscopy
ACS Appl. Mater. Interf. 13, 53363-53374 (2021) https://doi.org/10.1021/acsami.1c06714
H. Wang, M. Kottwitz, N. Rui, S. Senanayake, N. Marinkovic, Y. Li, R. G. Nuzzo, A. I. Frenkel
Aliovalent doping of CeO2 improves the stability of atomically dispersed Pt
ACS Appl. Mater. Interf. 13, 52736-52742 (2021)https://doi.org/10.1021/acsami.1c18330 (Funded at BNL)
H. Wei, A. Wisniowska, J. Fan, P. Harvey, Y. Li, V. Wu, E. C. Hansen, M. G. Kaul, A. M. Frey, G. Adam, A. I. Frenkel, M. G. Bawendi, A. Jasanoff
Single-nanometer iron oxide nanoparticles as tissue-permeable MRI contrast agents
Proc. Natl. Acad. Sci. USA 118, No. 42, e2102340118 (2021) https://doi.org/10.1073/pnas.2102340118
M. O. Olagunju, Y. Liu, A. I. Frenkel, M. R. Knecht
Atomically-resolved characterization of optically-driven ligand reconfiguration on nanoparticle catalyst surfaces
ACS Appl. Mater. Interf. 13, 44302-44311 (2021) https://doi.org/10.1021/acsami.1c11256
S. Roy, Y. Liu, M. Topsakal, E. Dias, R. Gakhar, W. C. Phillips, J. F. Wishart, D. Leshchev, P. Halstenberg, S. Dai, S. K. Gill, A. I. Frenkel, V. S. Bryantsev
A holistic approach for elucidating local structure, dynamics and speciation in molten salts with high structural disorder
J. Am. Chem. Soc. 143, 15298-15308 (2021) https://doi.org/10.1021/jacs.1c06742 (Funded at BNL)
P. Huang, J. Huang, J. Li, L. Zhang, J. He, C. A. Caputo, A. I. Frenkel, G. Li
Effect of carbon doping on CO₂-reduction activity of single cobalt sites in graphitic carbon nitride
ChemNanoMat 7, 1051–1056 (2021) https://doi.org/10.1002/cnma.202100164
J. Li, Y. Li, P. K. Routh, E. Makagon, I. Lubomirsky, A. I. Frenkel
Comparative analysis of XANES and EXAFS for local structural characterization of disordered mixed oxides
J. Synchrotron Radiat. 28, 1511-1517 (2021) https://doi.org/10.1107/S1600577521007025
J. W. Strasser, T. J. P. Hersbach, J. Liu, A. S. Lapp, A. I. Frenkel, R. M. Crooks
Electrochemical cleaning stability and oxygen reduction reaction activity of 1-2 nm dendrimer – encapsulated Au nanoparticles
ChemElectroChem 8, 2545-2555 (2021) https://doi.org/10.1002/celc.202100549
C. B. Whitehead, D. R. Handwerk, P. D. Shipman, Y. Li, A. I. Frenkel, B. Ingham, N. M. Kirby, R. G. Finke
Nanoparticle formation kinetics, mechanisms and accurate rate constants: Examination of a second-generation Ir(0)_n particle formation system by five monitoring methods plus initial mechanism-enabled population balance modeling
J. Phys. Chem. C 125, 13449-13476 (2021) https://doi.org/10.1021/acs.jpcc.1c03475
X. Liu, A. Ronne, L.-C. Yu, Y. Liu, M. Ge, C.-H. Lin, B. Layne, P. Halstenberg, D. S. Maltsev, A. Ivanov, S. Antonelli, S. Dai, W.-K. Lee, S. M. Mahurin, A. I. Frenkel, J. F. Wishart, X. Xiao, Y.-C. Chen-Wiegart
Formation of three-dimensional bicontinuous structures via molten salt dealloying studied in real time by in situ synchrotron X-ray nano-tomography
Nature Commun.12, 3441 (2021) https://doi.org/10.1038/s41467-021-23598-8 (Funded at BNL)
Y. TIan, A. L. Kaledin, D. L. Collins-Wildman, V. Snider, D. G .Musaev, C. L. Hill, A. I. Frenkel
Polyniobate nanothreads for the decomposition of the nerve agent simulant dimethyl chlorophosphate
ACS Appl. Nano Mater.4, 5649-5654 (2021) https://doi.org/10.1021/acsanm.1c00813 (Funded at BNL)
M. Kottwitz, Y. Li, H. Wang, A. I. Frenkel, R. G. Nuzzo
Single atom catalysts: A review of characterization methods
Chemistry-Methods 1, 278-294 (2021) https://doi.org/10.1002/cmtd.202100020
Y. Li, A. I. Frenkel
Deciphering the local environment of single – atom catalysts with X-ray absorption spectroscopy
Acc. Chem. Res. 54, 2660-2669 (2021) https://doi.org/10.1021/acs.accounts.1c00180
S. C. McGuire, A. Ebrahim, N. Hurley, L .Zhang, A. I. Frenkel, S. Wong
Reconciling structure prediction of novel alloyed, ultrathin nanowires with spectroscopy
Chem. Science 12, 7158-7173 (2021) https://doi.org/10.1039/D1SC00627D
Halder, C. Lenardi, J. Timoshenko, A. Mravak, B. Yang, L. K. Kolipaka, S. Seifert, V. Bonacic-Koutecky, A. I. Frenkel, P. Milani, S. Vajda
CO₂ methanation on Cu-cluster decorated zirconia supports with different morphology: a combined experimental in situ GIXANES/GISAXS, ex situ XPS and theoretical DFT study
ACS Catalysis 11, 6210-6224 (2021) https://doi.org/10.1021/acscatal.0c05029
R. L. Lawrence, M. O. Olagunju, Y. Liu, K. Mahalingham, J. M. Slocik, R. R. Naik, A. I. Frenkel, M. R. Knecht
Remote controlled optical manipulation of bimetallic nanoparticle catalysts using peptides
Cat. Sci. Technol. 11,2386-2395 (2021) https://doi.org/10.1039/D1CY00189B Front Cover
D. L. Collins-Wildman, K. P. Sullivan, Y. V. Geletii, W. O. Gordon, A. Balboa, Y. Tian, A. L. Kaledin, R. M. Slaugenhaupt, V. G. Snider, C. K. Karwacki, A. I. Frenkel. D. G. Musaev, C. L. Hill
A solvent-free solid catalyst for the selective, and color-indicating ambient-air removal of sulfur mustard
Commun. Chem. 4, 33 (2021) https://doi.org/10.1038/s42004-021-00465-7 (Funded at BNL)
P. K. Routh, Y. Liu, N. Marcella, B. Kozinsky, A. I. Frenkel
Latent representation learning for structural characterization of catalysts
J. Phys. Chem Lett. (Perspective) 12, 2086-2094 (2021)https://doi.org/10.1021/acs.jpclett.0c03792
J. L. Hart, K. Hantanasirisakul, A. C. Lang, Y. Li, F. Mehmood, R. Pachter, A. I. Frenkel, Y. Gogotsi, M. L. Taheri
Multimodal spectroscopic study of surface termination evolution in Cr₂TiC₂T_x MXene
Adv. Mater. Interf. 8, 2001789 (2021) https://doi.org/10.1002/admi.202001789
Y. Li, M. Kottwitz, J. Vincent, Z. Liu, L. Zhang, J. Huang, S. D. Senanayake, P. A. Crozier, R. G. Nuzzo, A. I. Frenkel
Dynamic structure of active sites in ceria – supported Pt catalysts for the Water Gas Shift reaction
Nature Commun. 12, 914 (2021) https://doi.org/10.1038/s41467-021-21132-4 (Funded at BNL) Materials News article in MRS Bulletin
B. Zhang, S. Lwin, S. Xiang, A. I. Frenkel, I. E. Wachs
Tuning the number of active sites and turnover frequencies by surface modificaiton of supported ReO4/(SiO2-Al2O3) catalysts for olefin methathesis
ACS Catalysis 11, 2412-2421 (2021) https://doi.org/10.1021/acscatal.0c05279
L. Asor, J. Liu, Y. Ossia, D. C. Tripathi, N. Tessler, A. I. Frenkel, U. Banin
InAs nanocrystals with robust p-type doping
Adv. Funct. Mater. 31, 2007456 (2021) https://doi.org/10.1002/adfm.202007456
E. Makagon, E. Wachtel, L. Houben, S. Cohen, Y. Li, J. Li, A. I. Frenkel, I. Lubomirsky
All-solid-state electro-chemo-mechanical actuator operating at room temperature
Adv. Funct. Mater. 31, 2006712 (2021) https://doi.org/10.1002/adfm.202006712
Materials News article in MRS Bulletin
M. W. Terban, S. K. Ghose, A. M. Plonka, D. Troya, P. Juhas, R. E. Dinnebier, J. J. Mahle, W. O Gordon, A. I. Frenkel
Atomic resolution tracking of nerve-agent simulant decomposition and host metal−organic framework response in real space.
Commun. Chem. 4, 2 (2021).https://doi.org/10.1038/s42004-020-00439-1Selected for Coordination Chemistry collection, 2021 and Editors’ Highlights, 2021. (Funded at BNL)
H. Zhang, X. Wang, A. I. Frenkel, P. Liu
Rationalization of promoted reverse water gas shift reaction by Pt₃Ni alloy: Essential contribution from ensemble effect
J. Chem. Phys. 154, 014702 (2021) https://doi.org/10.1063/5.0037886 (Funded at BNL)
E. T. Dias, S. K. Gill, Y. Liu, P. Halstenberg, S. Dai, J. Huang, J. Mausz, R. Gakhar, W. C. Phillips, S. Mahurin, S. M. Pimblott, J. F. Wishart, A. I. Frenkel
Radiation-assisted formation of metal nanoparticles in molten salts
J. Phys. Chem. Lett. 12, 157-164 (2021) https://doi.org/10.1021/acs.jpclett.0c03231
Correction: J. Phys. Chem. Lett. 12, 1777 (2021) https://doi.org/10.1021/acs.jpclett.1c00451 (Funded at BNL)
X. Zhao, H. Cheng, L. Song, L. Han, R. Zhang, G. Kwon, L. Ma, S. Ehrlich, A. I. Frenkel, J. Yang, K. Sasaki, H. L. Xin
Rhombohedral ordered intermetallic nanocatalyst boosts the oxygen reduction reaction
ACS Catalysis 11, 184-192 (2021) https://doi.org/10.1021/acscatal.0c04021 (Funded at BNL)

2020

A.M. Ebrahim, A. M. Plonka, N. Rui, S. Hwang, W. O. Gordon, A. Balboa, S. D. Senanayake, A. I. Frenkel
Capture and decomposition of the nerve agent simulant, DMCP, using the zeolitic imidazolate framework (ZIF-8)
ACS Appl. Mater. Interf. 12, 58326-58338 (2020) DOI:10.1021/acsami.0c12985 (Funded at BNL)
Y. Zhou, H. Thirumalai, S. K. Smith, K. H. Whitmire, J. Liu, A. I. Frenkel, L. C. Grabow, J. D. Rimer
Ethylene dehydroaromatization over Ga-ZSM-5 catalysts: Nature and role of Gallium speciation
Angew. Chem. Int. Ed.59, 19592-19601 (2020) DOI:10.1002/anie.202007147
F.A. Susai, M. Talianker, J. Liu, Rosy, P. Tanmoi, Y. Grinblat, E. Ericksoon, M. Noked, L. Burstein, A. I Frenkel, Y. Tzur, B. Markovsky, D. Aurbach
Electrochemical activation of Li₂MnO₃ electrodes at 0C and its impact on the subsequent performance at higher temperatures
Materials 13, 4388-4409 (2020) DOI: 10.3390/ma13194388
K. Metavarayuth, O. Ejegbavwo, G. McCarver, M. L. Myrick, T. M. Makris, K. D. Vogiatzis, S. D. Senanayake, O. M. Manley, A. Ebrahim, A. I. Frenkel, S. Hwang, T. Rajeshkumar, J. Jiminez, K. Chen, N. B. Shustova, D. A. Chen
Direct identification of mixed-metal centers in metal-organic frameworks (Cu₃(BTC)₂) transmetallated with Rh²⁺ ions
J. Phys. Chem. Lett. 11, 8138-8144 (2020) DOI:10.1021/acs.jpclett.0c02539 (Funded at BNL)
X. Zhao, C. Xu, R. Zhang, L. Song, C. Wang, J. S. Spendelow, A. I. Frenkel, J. Yang, H. L. Xin, K. Sasaki
High-performance nitrogen-doped intermetallic PtNi catalyst for the oxygen reduction reaciton
ACS Catalysis 10, 10637-10645 (2020) DOI:10.1021/acscatal.0c03036 (Funded at BNL)
W. Ke, Y. Liu, X. Wang, X. Qin, L. Chen, R. Palomino, J. P. Simonovis, I. Lee, J. A. Rodriguez, A. I. Frenkel, P. Liu, F. Zaera
Nucleation and initial stages of growth during the atomic layer deposition (ALD) of titanium oxide on mesoporous silica
Nano Letters20, 6884-6890 (2020) DOI:10.1021/acs.nanolett.0c02990
N. Marcella, Y. Liu, J. Timoshenko, E. Guan, M. Luneau, T. Shirman, A. M. Plonka, J. E. S. v. der Hoeven, J. Aizenberg, C. M. Friend, A. I. Frenkel
Neural network assisted analysis of bimetallic nanocatalysts using X-ray absorption near edge structure spectroscopy
Phys. Chem. Chem. Phys. 22, 18902-18910 (2020) DOI:10.1039/D0CP02098B
L. Kang, X. Y. Liu, A. Wang, L. Li, Y. Ren, X. Li, X. Pan, Y. Li, X. Zong, H. Liu, A. I. Frenkel, T. Zhang
Photo-thermo catalytic oxidation over TiO₂-WO₃ supported platinum catalyst
Angew. Chem. Int. Ed. 132, 13009-13016 (2020) DOI:10.1002/ange.202001701
A. Boubnov, J. Timoshenko, C. J. Wrasman, A. S. Hoffman, M. Cargnello, A. I. Frenkel, S. R. Bare
Insight into restructuring of Pd-Au nanoparticles using EXAFS
Radiat. Phys. Chem. 175, 108304 (2020) DOI:10.1016/j.radphyschem.2019.04.054
J. Timoshenko, S. Roese, H. Hovel, A. I. Frenkel
Silver clusters shape determination from in-situ XANES data
Radiat. Phys. Chem. 175, 108049 (2020) DOI:10.1016/j.radphyschem.2018.11.003 (Funded at BNL)
M. Luneau, E. Guan, W. Chen, A. C. Foucher, N. Marcella, T. Shirman, D. M. A. Verbart, J. Aizenberg, M. Aizenberg, E. A. Stach, R. J. Madix, A. I. Frenkel, C. M. Friend
Enhancing catalytic performance of dilute metal alloy nanomaterials
Commun. Chem. 3, 46 (2020) DOI:10.1038/s42004-020-0293-2
T. G. Grissom, A. M. Plonka, C. H. Sharp, A. M. Ebrahim, Y. Tian, D. L. Collins-Wildman, A. L. Kaledin, H. J. Siegal, D. Troya, C. L. Hill, A. I. Frenkel, D. G. Musaev, W. O. Gordon, C. J. Karwacki, M. B. Mitchell, J. R. Morris
Metal-organic framework- and polyxotometalate-based sorbents for the uptake and destruction of chemical warfafe agents
ACS Appl. Mater. Interf. 12, 14641-14661 (2020) DOI:10.1021/acsami.9b20833 (Funded at BNL)
A. M. Ebrahim, A. M. Plonka, Y. Tian, S. D. Senanayake, W. O. Gordon, A. Balboa, H. Wang, D. L. Collins Wildman, C. L. Hill, D. G. Musaev, J. R. Morris, D. Troya, A. I. Frenkel
Multimodal characterization of materials and decontamination processes for chemical warfare protection
ACS Appl. Mater. Interf. 12, 14721-14738 (2020) DOI:10.1021/acsami.9b19494 https://www.bnl.gov/chemistry/sdan/publications.php
Y.-C. K. Chen-Wiegart, S. I. Campbell, K. G. Yager, Y. Liu, A. I. Frenkel, L. Yang, J. Bai, M. McCormick, D. Allan, M. Basham
Multi-modal characterization: Overview of modern techniques and data analysis methods
In: Handbook on Big Data and Machine Learning in the Physical Sciences, World Scientific Series on Emerging Technologies, v.2, Chapter 3, pp. 39-64 (2020). DOI:10.1142/9789811204579_0003
(Funded at BNL)
Y. Lin, M. Topsakal, J. Timoshenko, D. Lu, S. Yoo, A. I. Frenkel
Machine-Learning assisted structure determination of metallic nanoparticles: A benchmark
In: Handbook on Big Data and Machine Learning in the Physical Sciences, World Scientific Series on Emerging Technologies, v.2, Chapter 7, pp. 127-140 (2020). DOI:10.1142/9789811204579_0007
(Funded at BNL)
L. E. Betancourt, A. Rojas-Perez, I. Oroszo, A. I. Frenkel, Y. Li, K. Sasaki, S. Senanayake, C. R. Cabrera
Enhancing ORR performance of bimetallic PdAg electrocatalysts by designing interactions between Pd and Ag
ACS Appl. Energy Mater. 3, 2342-2349 (2020) DOI:10.1021/acsaem.9b01920 (Funded at BNL)
S. K. Gill, J. Huang, J. Mausz, R. Gakhar, S. Roy, F. D. Vila, M. Topsakal, W. C. Phillips, B. Layne, S. Mahurin, P. Halstenberg, S. Dai, J. F. Wishart, V. S. Bryantsev, A. I. Frenkel
Connections between the speciation and solubility of Ni(II) and Co(II) in molten ZnCl₂
J. Phys. Chem. B 124, 1253-1258 (2020) DOI:10.1021/acs.jpcb.0c00195 https://www.bnl.gov/chemistry/sdan/publications.php
A. I. Frenkel, J. A. Rodriguez, J. G. Chen
Synchrotron consortia for catalysis and electrocatalysis research
Synchrotron Radiation News, Special Issue “Synchrotron Consortia for Catalysis and Electrocatalysis Research”, A. I. Frenkel, J. A. Rodriguez, J. G. Chen, Editors.
Synchrotron Radiat. News 33:1, 2-3 (2020) DOI:10.1080/08940886.2020.1701366
Front Cover
N. S. Marinkovic, S. N. Ehrlich, P. Northrup, Y. Chu, A. I. Frenkel
Synchrotron Catalysis Consortium (SCC) at NSLS-II: Dedicated beamline facilities for in situ and operando characterization of catalysts
Synchrotron Radiation News, Special Issue “Synchrotron Consortia for Catalysis and Electrocatalysis Research”, A. I. Frenkel, J. A. Rodriguez, J. G. Chen, Editors.
Synchrotron Radiat. News 33:1, 4-9 (2020) DOI:10.1080/08940886.2020.1701367
A. M. Plonka, A. I. Frenkel, W. O. Gordon, J. R. Morris, C. J. Karwacki
Defense Synchrotron Consortium at Brookhaven National Laboratory
Synchrotron Radiation News, Special Issue “Synchrotron Consortia for Catalysis and Electrocatalysis Research”, A. I. Frenkel, J. A. Rodriguez, J. G. Chen, Editors.
Synchrotron Radiat. News 33:1, 29-34 (2020) DOI:10.1080/08940886.2020.1701374
H. Singh, R. Fei, Y. Rakita, M. Kulbak, D. Cahen, A. M. Rappe, A. I. Frenkel
Origin of the anomalous Pb-Br bond dynamics in formamidinium lead bromide perovskites
Phys. Rev. B 101, 054302 (2020)
J. Qiao, J. Wang, A. I. Frenkel, J. Teng, X. Chen, J. Xiao, T. Zhang, Z. Wang, Z. Yuan, W. Yang
Methanol to aromatics: isolated zinc phosphate groups on HZSM-5 zeolite enhance BTX selectivity and catalytic stability
RSC Advances 10, 5961-5971 (2020) DOI:10.1103/PhysRevB.101.054302
E. Guan, A. C. Foucher, N. Marcella, T. Shirman, M. Luneau, A. R. Head, D. M. A. Verbart, J. Aizenberg, C. M. Friend, D. Stachhiola, E. A. Stach, A. I. Frenkel
New role of Pd hydride as a sensor of surface Pd distributions in Pd-Au catalysts
ChemCatChem 12, 717-721 (2020) DOI:10.1002/cctc.201901847
R. Schmitt, A. Nenning, O. Kraynis, R. Korobko, E. Wachtel, A. I. Frenkel, I. Lubomirsky, S. M. Haile, J. L. M. Rupp
A review of defect structure and chemistry in ceria and its solid solutions
Chem. Soc. Reviews 49, 554-592 (2020) DOI:10.1039/C9CS00588A
X. Chen, D. A. Henckel, U. Nwabara, Y. Li, A. I. Frenkel, T. Fister, P. J. A. Kenis, A. A. Gewirth
Controlling speciation during CO₂ reduction on Cu-alloy electrodes
ACS Catalysis 10, 672-682 (2020) DOI:10.1021/acscatal.9b04368

2019

A. M. Plonka, T. Grissom, D. G. Musaev, A. Balboa, W. O. Gordon, D. L. Colins-Wildman, S. K. Ghoase, Y. Tian, A. M. Ebrahim, M. B. Mitchell, C. L. Hill, J. R. Morris, A. I. Frenkel
Effect of carbon dioxide on the degradation of chemical warfare agent simulant in the presence of metal organic framework MOF-808
Chem. Mater. 31, 9904-9914 (2019) DOI:10.1021/acs.chemmater.9b04565 (Funded at BNL)
B. Zugic, M. A. v. Spronsen, C. Heine, M. M. Montemore, Y. Li, D. N. Zakharov, S. Karakalos, B. A. J. Lechner, E. Crumlin, M. M. Biener, A. I. Frenkel, J. Biener, E. A. Stach, M. Salmeron, E. Kaxiras, R. J. Madix, C. M. Friend
Evolution of steady-state material properties during catalysis: Oxidative coupling of methanol over nanoporous Ag_0.03Au_0.97
J. Catal. 380, 366-374 (2019) DOI:10.1016/j.jcat.2019.08.041
Y. Liu, N. Marcella, J. Timoshenko, A. Halder, B. Yang, L. Kolipaka, M. J. Pellin, S. Seifert, S. Vajda, P. Liu, A. I. Frenkel
Mapping XANES spectra on structural descriptors of copper oxide clusters using supervised machine learning
J. Chem. Phys. 151, 164201 (2019) DOI:10.1063/1.5126597JCP Editors’ Pick
Oct. 28, 2019, Cover (Funded at BNL)
D. M. Shakya, O. Ejegbavwo, T. Rajeshkumar, S. D. Senanayake, A. J. Brandt, S. Farzandh, N. Acharya, A. M. Ebrahim, A. I. Frenkel, N. Rui, G. L. Tate, J. R. Monnier, K. D. Vogiatzis, N. B. Shustova, D. A. Chen
Selective catalytic chemistry at Rhodium(II) nodes in bimetallic metal-organic frameworks
Angew. Chem. Int. Ed. 131, 16685-16689 (2019) DOI:10.1002/ange.201908761 (Funded at BNL)
J. Timoshenko, A. I. Frenkel
“Inverting” X-ray Absorption Spectra of catalysts by machine learning in search for activity descriptors
ACS Catalysis (Perspective) 9, 10192-10211 (2019) DOI:10.1021/acscatal.9b03599 (Funded at BNL)
O. Mabayoje, Y. Liu, M. Wang, A. Shoola, A. M. Ebrahim, A. I. Frenkel, C. B. Mullins
Electrodeposition of MoSx hydrogen evolution catalysts from sulfur-rich precursors
ACS Applied Mater. and Interfaces11, 32879-32886 (2019) DOI:10.1021/acsami.9b07277
M. Kottwitz, Y. Li, R. M. Palomino, Z. Liu, Q. Wu, G. Wang, J. Huang, J. Timoshenko, S. D. Senanayake, M. Balasubramanian, D. Lu, R. G. Nuzzo, A. I. Frenkel
Local structure and electronic state of atomically dispersed Pt on nanosized CeO₂ support
ACS Catalysis 9, 8738-8748 (2019) DOI:10.1021/acscatal.9b02083(Funded at BNL)
M. Luneau, T. Shirman, A. Filie, J. Timoshenko, W. Chen, A. Trimpalis, M. Flytzani-Stephanopoulos, E. Kaxiras, A. I. Frenkel, J. Aizenberg, C. M. Friend, R. M. Madix
Dilute Pd/Au alloy nanoparticles embedded in colloid templated porous SiO₂: Stable Au-based oxidation catalysts
Chem. Mater. 31, 5759-5768 (2019) DOI:10.1021/acs.chemmater.9b01779
O. Kraynis, J. Timoshenko, J. Huang, H. Singh, E. Wachtel, A. I. Frenkel, I. Lubomirsky
Modeling strain distribution at the atomic level in doped ceria films with extended X-ray absorption fine structure spectroscopy
Inorg. Chem. 58, 7527-7536 (2019) DOI:10.1021/acs.inorgchem.9b00730
J. Timoshenko, Z. Duan, G. Henkelman, R. M. Crooks, A. I. Frenkel
Solving the structure and dynamics of metal nanoparticles by combining X-ray absorption fine structure spectroscopy and atomistic structure simulations
(Invited) Annual Rev. Anal. Chem. 12, 501-522 (2019) DOI:10.1146/annurev-anchem-061318-114929
Y. Tian, A. M. Plonka, A. M. Ebrahim, R. Palomino, S. D. Senanayake, A. Balboa, W. O. Gordon, D. Troya, D. G. Musaev, J. R. Morris, M. B. Mitchell, D. L. Collins-Wildman, C. L. Hill, A. I. Frenkel
Correlated multimodal approach reveals key details of nerve-agent decomposition by single-site Zr-based polyoxometalates
J. Phys. Chem. Lett. 10, 2295-2299 (2019) DOI:10.1021/acs.jpclett.9b01002 (Funded at BNL)
M. Zhao, Y. Xu, L. Shuller-NIckles, J. Amoroso, A. I. Frenkel, Y. Li, W. Gong, K. Lilova, A. Navrotsky, K. Brinkman
Compositional control of radionuclide retention in hollandite-based ceramic waste forms for Cs-immobilization: The role of local structure and thermodynamic stability on elemental release
J. Am. Cer. Soc. 102, 4314-4324 (2019) DOI:10.1111/jace.16258
S. Zhang, Y. Li, J. Huang, J. Lee, D. H. Kim, A. I. Frenkel, T. Kim
Effects of molecular and electronic structures in CoO_x/CeO₂ catalysts on NO reduction by CO
J. Phys. Chem. C 123, 7166-7177 (2019) DOI:10.1021/acs.jpcc.8b12442
L. Wang, Y. Zhou, J. Timoshenko, S. Liu, Q. Qiao, K. Kisslinger, M. Cuiffo, Y. Chuang, X. Zuo, Y. Xue, C. Pan, H. Li, C.-Y. Nam, S. Bliznakov, P. Liu, A. I. Frenkel, Y. Zhu, M. Rafailovich
Designing nanoplatelet alloy/Nafion membranes for optimization of PEMFCs performance: Operation, durability, and CO resistance
ACS Catalysis9, 1446-1456 (2019) DOI:10.1021/acscatal.8b03611
T. Wolf, S. Kumar, H. Singh, F. Aussenac, A. I. Frenkel, D. T. Major, M. Leskes
Endogenous dynamic nuclear polarization for natural abundance ¹⁷O and Lithium NMR in the bulk of inorganic solids
J. Am. Chem. Soc.141, 451-462 (2019) DOI:10.1021/jacs.8b11015
J. Timoshenko, C. J. Wrasman, M. Luneau, T. Shirman, M. Cargnello, S. R. Bare, J. Aizenberg, C. M. Friend, A. I. Frenkel
Probing atomic distributions in mono- and bimetallic nanoparticles by supervised machine learning
Nano Letters 19, 520-529 (2019) DOI:10.1021/acs.nanolett.8b04461 (Funded at BNL)
M. Varenik, S. Cohen, E. Wachtel, A. I. Frenkel, J. C. Nino, I. Lubomirsky
Oxygen Vacancy Ordering and Viscoelastic Mechanical Properties of Doped Ceria Ceramics
Scripta Mater. 163, 19-23 (2019) DOI:10.1016/j.scriptamat.2018.12.024
A. L. Kaledin, D. Troya, C. J. Karwacki, A. Balboa, W. O. Gordon, J. R. Morris, M. B. Mitchell, A. I. Frenkel, C. L. Hill, D. G. Musaev
Key mechanistic details of Paraoxon decomposition by Polyoxometalates: Critical role of Para-Nitro substitution
Chem. Phys. 518, 30-37 (2019) DOI:10.1016/j.chemphys.2018.11.013
W. E. Taifan, Y. Li, J. P. Baltrus, A. I. Frenkel, L. Zhang, J. Baltrusaitis
Operando structure determination of Cu and Zn on supported MgO/SiO₂ catalysts during ethanol conversion to 1,3–butadiene
ACS Catalysis 9, 269-285 (2019) DOI:10.1021/acscatal.8b03515 (Funded at BNL)

2018

H. Singh, M. Topsakal, K. Attenkofer, T. Wolf, M. Leskes, Y. Duan, F. Wang, J. Vinson, D. Lu, A. I. Frenkel
Identification of dopant site and its effect on electrochemical activity in Mn-doped Lithium Titanate
Phys. Rev. Materials 2,125403 (2018) DOI:10.1103/PhysRevMaterials.2.125403
Z. Duan, J. Timoshenko, P. Kunal, S. House, H. Wan, K. Jarvis, C. Bonifacio, J. C. Yang, R. M. Crooks, A. I. Frenkel, S. Humphrey, G. Henkelman
Structural characterization of heterogeneous Rh-Au nanoparticles from a microwave-assisted synthesis
Nanoscale10, 22520-22532 (2018) DOI:10.1039/C8NR04866E
P. Huang, J. Huang, S. Pantovich, A. Carl, T. Fenton, C. Caputo, R. Grimm, A. I. Frenkel, G. Li
Selective CO₂ reduction catalyzed by single cobalt sites on carbon nitride under visible-light irradiation
J. Am. Chem. Soc. (Commun.) 140,16042-16047 (2018) DOI:10.1021/jacs.8b10380 (Funded at BNL)
J. Ning, J. Liu, J. Levi-Kalisman, A. I. Frenkel, U. Banin
Controlling anisotropic growth of colloidal ZnSe nanostructures using magic size clusters
J. Am. Chem. Soc. 140, 14627-14637 (2018) DOI:10.1021/jacs.8b05941
J. Timoshenko, A. Halder, B. Yang, S. Seifert, M. Pellin, S. Vajda, A. I. Frenkel
Subnanometer substructures in nanoassemblies formed from clusters under a reactive atmosphere revealed using machine learning
J. Phys. Chem. C 122, 21686-21693 (2018) DOI:10.1021/acs.jpcc.8b07952 (Funded at BNL)
O. Breuer, B. Markovsky, D. T. Major, A. I. Frenkel, J. Liu, A. Chakraborty, T. Kravchuk, Y. Kauffman, M. Talianker, J. Grinblat, L. Burstein, A. Gladkih, P. Nayak, D. Aurbach
Understanding the role of minor molybdenum doping in LiNi_0.5Co_0.2Mn_0.3 O₂ electrodes: from structural analysis and theoretical modeling to practical electrochemical cells
ACS Appl. Mater. & Interfaces 10,29608-29621 (2018) DOI:10.1021/acsami.8b09795
B. Yan, Q. Wu, J. Cen, J. Timoshenko, A. I. Frenkel, D. Su, X. Chen, J. B. Parise, E. A. Stach, A. Orlov, J. G. Chen
Highly active subnanometer Rh clusters derived from Rh-doped SrTiO₃ for CO₂ reduction
Applied Catalysis B: Environmental 237, 1003-1011 (2018) DOI:10.1016/j.apcatb.2018.06.074
(Funded at BNL)
D. Collins-Wildman, M. Kim, K. P. Sullivan, A. M. Plonka, D. G. Musaev, A. I. Frenkel, C. L. Hill
Buffer-induced acceleration and inhibition in Polyoxometalate-catalyzed organophosphorus Ester hydrolysis
ACS Catalysis 8, 7068-7076 (2018) DOI:10.1021/acscatal.8b00394
J-D. Grunwaldt, A. Frenkel
Synchrotron radiation and neutrons for catalysis, materials research and development
Synchrotron Rad. News 31:3, 56-58 (2018) DOI:10.1080/08940886.2018.1460180
E. Wachtel, A. I. Frenkel, I. Lubomirsky
Anelastic and electromechanical properties of doped and reduced ceria
Adv. Materials 30,1707455 (2018) DOI:10.1002/adma.201707455
J. Timoshenko, A. Anspoks, A. Cintins, A. Kuzmin, J. Purans, A. I. Frenkel
Neural network approach for characterizing structural transformations by X-ray absorption fine structure spectroscopy
Phys. Rev. Lett. 120,225502 (2018) DOI:10.1103/PhysRevLett.120.225502 (Funded at BNL)
A. S. Lapp, Z. Duan, N. Marcella, L. Luo, A. Genc, J. Ringnalda, A. I. Frenkel, G. Henkelman, R. M. Crooks
Experimental and theoretical structural investigation of AuPt nanoparticles synthesized using a direct electrochemical method
J. Am. Chem. Soc. 140, 6249-6259 (2018) DOI:10.1021/jacs.7b12306 (Funded at BNL)
T. Hoang, S. Verma, S. Ma, T. Fister, J. Timoshenko, A. I. Frenkel, P. Kenis, A. Gewirth
Nano porous Copper-Silver alloys by additive-controlled electro-deposition for the selective electroreduction of CO₂ to ethylene and ethanol
J. Am. Chem. Soc. 140,5791-5797 (2018) DOI:10.1021/jacs.8b01868
H. Singh, D. Donetsky, J. Liu, K. Attenkofer, B. Cheng, J. R. Trelewicz, I. Lubomirsky, E. Stavitski, A. I. Frenkel
Investigation of periodically driven systems by X-ray absorption spectroscopy using asynchronous data collection mode
Rev. Sci. Instrum. 89,045111 (2018) DOI:10.1063/1.5000679
D. Vovchok, C. J. Guild, S. Dissanayake, J. Llorca, E. Stavitski, Z. Liu, R. Palomino, I. Waluyo, Y. Li, A. I. Frenkel, J. A. Rodriguez, S. L. Suib, S. D. Senanayake
In situ characterization of mesoporous Co/CeO₂ catalysts for the high temperature water-gas shift
J. Phys. Chem. C122, 8998-9008 (2018) DOI:10.1021/acs.jpcc.8b01271 (Funded at BNL)
Z. Jia, Y. Tu, J. Wang, A. I. Frenkel, W. Yang, Z. Liu, Z. Xu
In situ X-ray Absorption Spectroscopy characterization of copper valence state in Cu-Zn/SiO₂ catalysts
Acta Chimica Sinica 76,639-643 (2018) DOI:10.6023/A18010036
S. Roese, A. Kononov, J. Timoshenko, A. I. Frenkel, H. Hovel
Cluster assemblies produced by aggregation of preformed Ag clusters in ionic liquids
Langmuir 34, 4811-4819 (2018) DOI:10.1021/acs.langmuir.7b03984
D. Liu, Y. Li, M. Kottwitz, B. Yan, S. Yao, A. Gamalski, D. Grolimund, O. V. Safonova, M. Nachtegaal, J. G. Chen, E. A. Stach, R. G. Nuzzo, A. I. Frenkel
Identifying dynamic structural changes of active sites in Pt-Ni bimetallic catalysts using multimodal approaches
ACS Catalysis 8, 4120-4131 (2018) DOI:10.1021/acscatal.8b00706 (Funded at BNL)
F. Zhang, Z. Liu, S. Zhang, N. Akter, R. M. Palomino, D. Vovchok, I. Orozco, D. Salazar, J. A. Rodriguez, J. Llorca, J. Lee, D. H. Kim, W. Xu, A. I. Frenkel, Y. Li, T. Kim, S. D. Senanayake
In situ elucidation of the active state of Co-CeO_x catalysts in the dry reforming of methane: The important role of the reducible oxide support and interactions with Cobalt
ACS Catalysis 8,3550-3560 (2018) DOI:10.1021/acscatal.7b03640 (Funded at BNL)
Y. Tang, Y. Li, V. Fung, D. Jiang, W. Huang, S. Zhang, Y. Iwasawa, T. Sakata, L. Nguyen, X. Zhang, A. I. Frenkel, F. Tao
Single rhodium atoms anchored in micropores for efficient transformation of methane under mild condition
Nature Communications 9,1231 (2018) DOI:10.1038/s41467-018-03235-7
J. Jiang, A. M. Plonka, A. I. Frenkel, D. Gersappe
Modeling gas flow dynamics in metal-organic frameworks
J. Phys. Chem. Lett., 9,1092-1096 (2018) DOI:10.1021/acs.jpclett.8b00011
Q. Wu, B. Yan, J. Cen, J. Timoshenko, D. Zakharov, X. Chen, H. Xin, S. Yao, J. Parise, A. I. Frenkel, E. A. Stach, J. G. Chen, A. Orlov
Growth of Nanoparticles with Desired Catalytic Functions by Controlled Doping-Segregation of Metal in Oxide
Chem. Mater. 30,1585-1592 (2018) D10.1021/acs.chemmater.7b04699 (Funded at BNL)
Q. Wu, J. Cen, Y. Zhao, X. Tong, Y. Li, A. I. Frenkel, S. Zhao, A. Orlov
A comprehensive study of catalytic, morphological and electronic properties of ligand-protected gold nanoclusters using XPS, STM, XAFS and TPD techniques
Phys. Chem. Chem. Phys. 20, 1497-1503 (2018) DOI:10.1039/C7CP06376H
S. Zhang, Y. Tang, L. Nguyen, Y.-F. Zhao, Z. Wu, T. W. Goh, J. Liu, Y. Li, T. Zhu, W. Huang, A. I. Frenkel, J. Li, F. Tao
Catalysis on singly dispersed Rh atoms anchored on an inert support
ACS Catalysis 8,110-121 (2018) DOI:10.1021/acscatal.7b01788
N. Yavo, O. Yeheskel, D. Ehre, E. Wachtel, A. I. Frenkel, I. Lubomirsky
Relaxation and saturation of electrostriction in 10 mol% Gd-doped ceria ceramics
Acta Mater. 144,411-418 (2018) DOI:10.1016/j.actamat.2017.10.056
R. Rosentsveig, L. Yadgarov, Y. Feldman, S. Shilstein, R. Popovitz-Biro, B. Visic, A. Sedova, S. R. Cohen, Y. Li, A. I. Frenkel, R. Tenne
Nanoparticle Doping:Doping of fullerene-like MoS2 nanoparticles with minute amounts of niobium
Part. Part. Syst. Charact. 35,1700165 (2018) DOI:10.1002/ppsc.201870009

2017

R. Rosentsveig, L. Yadgarov, Y. Feldman, S. Shilstein, R. Popovitz-Biro, B. Visic, A. Sedova, S. R. Cohen, Y. Li, A. I. Frenkel, R. Tenne
Doping of fullerene-like MoS₂ nanoparticles with minute amounts of niobium
Part. Part. Syst. Charact. 35:3,1700165 (2017) DOI:10.1002/ppsc.201700165
W. Zhang, M. Topsakal, C. Cama, C. J. Pelliccione, H. Zhao, S. Ehrlich, L. Wu, Y. Zhu, A. I. Frenkel, K. J. Takeuchi, E. S. Takeuchi, A. C. Marschilok, D. Lu, F. Wang
Multi-stage structural transformations in zero-strain Lithium Titanate unveiled by in situ X-ray Absorption fingerprints
J. Am. Chem. Soc., 139, 16591-16603 (2017) DOI:10.1021/jacs.7b07628
J. Timoshenko, D. Lu, Y. Lin, A. I. Frenkel
Supervised machine learning-based determination of three-dimensional structure of metallic nanoparticles
J. Phys. Chem. Lett., 8, 5091-5098 (2017) DOI:10.1021/acs.jpclett.7b02364 (Funded at BNL)
L. Luo, J. Timoshenko, A. Lapp, A. I. Frenkel, R. M. Crooks
Structural characterization of Rh and RhAu dendrimer – encapsulated nanoparticles
Langmuir 33, 12434-12442 (2017) DOI:10.1021/acs.langmuir.7b02857
H. Nguyen, N. Xiao, S. Daniels, N. Marcella, J. Timoshenko, A. I. Frenkel, D. Vlachos
Role of Lewis and Brønsted acidity in metal chloride catalysis in organic media: Reductive etherification of furanics
ACS Catalysis 7, 7363-7370 (2017) DOI:10.1021/acscatal.7b02348
S. Zhao, Y. Li, D. Liu, J. Liu, Y.-M. Liu, D. N. Zakharov, Q. Wu, A. Orlov, A. A. Gewirth, E. A. Stach, R. G. Nuzzo, A. I. Frenkel
Multimodal study of the speciations and activities of supported Pd catalysts during the hydrogenation of ethylene
J. Phys. Chem. C., 121, 18962-18972 (2017) DOI:10.1021/acs.jpcc.7b06270
E. A. Stach, S. Zhao, Y. Li, D. Liu, J. Liu, Y.-M. Liu, D. N. Zakharov, Q. Wu, A. Orlov, A. A. Gewirth, R. G. Nuzzo, A. I. Frenkel
Operando and multimodal studies of speciation and activity of Pt catalysts during the hydrogenation of ethylene
Microsc. Microanal., 23(Suppl. 1), 892-893 (2017) DOI:10.1017/S1431927617005128 (Funded at BNL)
S. D. House, C. S. Bonifacio, J. Timoshenko, P. Kunal, H. Wan, Z. Duan, J. C. Yang, A. I. Frenkel, S. M. Humphrey, R. M. Crooks, G. A. Henkelman
Computationally assisted STEM and EXAFS characterization of tunable Rh/Au and Rh/Ag bimetallic nanoparticle catalysts
Microsc. Microanal., 23(Suppl. 1), 2030-2031 (2017) DOI:10.1017/S1431927617010819
D. C. Bock, C. J. Pelliccione, W. Zhang, J. Timoshenko, K. W. Knehr, A. C. West, F. Wang, Y. Li, A. I. Frenkel, E. S. Takeuchi, K. J. Takeuchi, A. C. Marschilok
Size dependent behavior of Fe₃O₄ crystals during electrochemical (de)lithiation: An in-situ X-ray diffraction, ex-situ X-ray absorption spectroscopy, transmission electron microscopy and theoretical investigation
Phys. Chem. Chem. Phys. 19, 20867-20880 (2017) DOI:10.1039/C7CP03312E
F. D. Vila, J. J. Rehr, R. G. Nuzzo, A. I. Frenkel
Anomalous structural disorder in supported Pt nanoparticles
J. Phys. Chem. Lett. 8, 3284-3288 (2017) DOI:10.1021/acs.jpclett.7b01446
O. Elimelech, J. Liu, A. M. Plonka, A. I. Frenkel, U. Banin
Size dependence of doping via vacancy formation in Copper sulfide nanocrystals
Angew. Chem. Int. Ed., 56, 10335-10340 (2017) DOI:10.1002/anie.201702673
Q. Wang and A. I. Frenkel
Characterization of model nanocatalysts by X-ray Absorption Spectroscopy
In: Morphological, Compositional and Shape Control of Materials for Catalysis, M. Cargnello and P. Fornasiero, Eds. Elsevier.
Chapter 5, pp. 149-183 (2017) DOI:10.1016/B978-0-12-805090-3.00005-X
G. Wang, C. Sharp, A. M. Plonka, A. I. Frenkel, W. Guo, C. Hill, J. Kollar, D. Troya, J. R. Morris
Mechanism and kinetics for reaction of the chemical warfare agent simulant, DMMP (g), with Zirconium (IV) MOFS: An ultrahigh-vacuum and DFT study
J. Phys. Chem. C 121, 11261-11272 (2017) DOI:10.1021/acs.jpcc.7b00070
E.M. Erickson, H. Sclar, F. Schipper, J. Liu, R. Tian, C. Ghanty, L. Burstein, Y. Grinblat, M. Talianker, J.-Y. Shin, C. Erk, F.-F. Chesneau, J. Lampert, B. Markovsky, A. I. Frenkel, D. Aurbach
High-Temperature treatment of Li-rich cathode materials with ammonia: Improved capacity and mean voltage stability during cycling
Adv. Energy Mater. 7, 1700708 (2017) DOI:10.1002/aenm.201700708
D. Panayotov, A. I. Frenkel, J. R. Morris
Catalysis and Photocatalysis by Nanoscale Au/TiO₂: Perspectives for Renewable Energy
ACS Energy Letters 2, 1223-1231 (2017) DOI:10.1021/acsenergylett.7b00189
Q. Wang, R. C. Chapleski Jr., A. M. Plonka, W. O. Gordon, W. Guo, T. D. Nguyen-Phan, C. H. Sharp, N. S. Marinkovic, S. D. Senanayake, J. R. Morris, C. L. Hill, D. Troya, A. I. Frenkel
Atomic-level structural dynamics of Polyoxoniobates during DMMP decomposition
Scientific Reports, 7, 773 (2017) DOI:10.1038/s41598-017-00772-x
R. M. Palomino, E. Stavitski, I. Waluyo, Y.-C. Chen-Wiegart, M. Abeykoon, J. T. Sadowski, J. A. Rodriguez, A. I. Frenkel, S. D. Senanayake
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 Rad. News 30, 30-37 (2017) DOI:10.1080/08940886.2017.1289805 (Funded at BNL)
J. Timoshenko, K. R. Keller, A. I. Frenkel
Determination of bimetallic architectures in nanometer-scale catalysts by combining molecular dynamics simulations with X-ray absorption spectroscopy
J. Chem. Phys. 146, 114201 (2017) DOI:10.1063/1.4978500
JCP Editors’ Choice, 2017
N. A. Merrill, T. T. Nitka, E. M. McKee, K. C. Merino, L. F. Drummy, S. Lee, B. Reinhart, Y. Ren, S. Pylypenko, R. R. Naik, A. I. Frenkel, N. Bedford, M. R. Knecht
Effects of metal composition and ratio on peptide-templated multimetallic nanomaterials
ACS Appl. Mater. Interfaces 9, 8030-8040 (2017) DOI:10.1021/acsami.6b11651
A. M. Plonka, Q. Wang, W. O. Gordon, A. Balboa, W. Guo, C. H. Sharp, S. D. Senanayake, J. R. Morris, C. L. Hill, A. I. Frenkel
In situ probes of capture and decomposition of chemical warfare agent simulants by Zr-based metal organic frameworks
J. Am. Chem. Soc. (Commun.) 139, 599-602 (2017). DOI:10.1021/jacs.6b11373
J. Timoshenko, A. I. Frenkel
Probing structural relaxation in nanosized catalysts by combining EXAFS and reverse Monte Carlo methods
Cat. Today. 280, 274-282 (2017) DOI:10.1016/j.cattod.2016.05.049
J. Shan, S. Zhang, T. Choksi, L. Nguyen, C. S. Bonifacio, Y. Li, W. Zhu, Y. Tang, Y.-W, Zhang, J. C. Yang, J. Greeley, A. I. Frenkel, F. Tao
Tuning catalytic performance through a single or sequential post-synthesis reaction(s) in a gas phase
ACS Catal, 7, 191-204 (2017) DOI:10.1021/acscatal.6b02054
M. Oezaslan, A.-K. Herrmann, M. Werheid, A. I. Frenkel, M. Nachtegaal, C. Dosche, C. Laugier Bonnaud, H. C. Yilmaz, L. Kuhn, E. Rhiel, N. Gaponik, A. Eychmuller, T.-J. Schmidt
Structural analysis and electrochemical properties of bimetallic Pd-Pt aerogels prepared by a two-step gelation process
ChemCatChem 9, 798-808 (2017) DOI:10.1002/cctc.201600667

2016

J. Liu, Y. Amit, Y. Li, A. Plonka, S. Ghose, L. Zhang, E. A. Stach, U. Banin, A. I. Frenkel
Reversed nanoscale Kirkendall effect in Au-InAs hybrid nanoparticles
Chem. Mater. 28,8032-8043 (2016) DOI:10.1021/acs.chemmater.6b03779
W. Huang, S. Zhang, Y. Tang, Y. Li, L. Nguyen, Y. Li, J. Shan, D. Xiao, R. Gagne, A. I. Frenkel, F. Tao
Low-temperature transformation of methane to methanol on Pd₁O₄ single sites anchored on the internal surface of microporous silicate
Angew. Chem. Int. Ed. 55, 13441-13445 (2016) DOI:10.1002/anie.201604708
G. Yang, A. I. Frenkel, D. Su, X. Teng
Enhanced electrokinetics of C-C bond splitting during ethanol oxidation by using a Pt/Rh/Sn catalyst with a partially oxidized Pt and Rh core and a SnO2 shell
ChemCatChem. 8, 2876-2880 (2016) DOI:10.1002/cctc.201600429
Z. Duan, Y. Li, J. Timoshenko, S. T. Chill, R. M. Anderson, D. F. Yancey, A. I. Frenkel, R. M. Crooks, G. Henkelman
A combined theoretical and experimental EXAFS study of the structure and dynamics of Au₁₄₇ nanoparticles
(invited) Cat. Sci. Tech.6, 6879-6885 (2016) DOI:10.1039/C6CY00559D
J. A. Varnell, E. C. M. Tse, C. E. Schulz, T. T. Fister, R. T. Haasch, J. Timoshenko, A. I. Frenkel, A. A. Gewirth
Identification of carbon-encapsulated iron nanoparticles as active species in non-precious metal oxygen reduction catalysts
Nature Commun.7, 12582 (2016) DOI:10.1038/ncomms12582
F. Tao, L. Nguyen, S. Zhang, Y. Li, Y. Tang, L. Zhang, A. I. Frenkel, Y. Xia, M. Salmeron
Formation of second-generation nanoclusters on metal nanoparticles driven by reactant gases
Nano Letters.16, 5001-5009 (2016) DOI:10.1021/acs.nanolett.6b01718
M. Oezaslan, W. Liu, M. Nachtegaal, A. I. Frenkel, B. Rutkowski, M. Werheid, A.-K. Herrmann, C. L. Bonnaud, H.-C. Yilmaz, N. Gaponik, A. Czyrska-Filemonowicz, A. Eychmuller, T.-J. Schmidt
Homogeneity and elemental distribution in self-assembled bimetallic Pd-Pt aerogels prepared by a spontaneous one-step gelation process
Phys. Chem. Chem. Phys.18, 20640-20650 (2016) DOI:10.1039/C6CP03527B
J. Timoshenko, A. Shivhare, R. W. J. Scott, D. Lu, A. I. Frenkel
Solving local structure around dopants in metal nanoparticles with ab initio modeling of X-ray absorption near edge structure
Phys. Chem. Chem. Phys.18, 19621-19630 (2016) DOI:10.1039/C6CP04030F
D. Senanayake, N. A. Pappoe, T.-D. Nguyen-Phan, S. Luo, Y. Li, W. Xu, Z. Liu, K. Mudiyanselage, A. Johnson-Peck, A. I. Frenkel, I. Heckler, D. Stacchiola, J. A. Rodriguez
Interfacial Cu⁺ promoted surface reactivity: Carbon monoxide oxidation reaction over polycrystalline copper-titania catalysts
Surf. Science,652, 206-212 (2016) DOI:10.1016/j.susc.2016.02.014 (Funded at BNL)
C. J. Keturakis, M. Zhu, E. K. Gibson, M. Daturi, F. Tao, A. I. Frenkel, I. E. Wachs
Dynamics of CrO₃ – Fe₂O₃ catalysts during the high temperature Water-Gas Shift reaction: Molecular structure and reactivity
ACS Catalysis,6, 4786-4798 (2016) DOI:10.1021/acscatal.6b01281
A. M. Ganzler, H. Lichtenberg, A. I. Frenkel, M. Casapu, A. Boubnov, D. Wang, J.-D. Grunwaldt
Using combined XAS/DRIFTS to study CO/NO oxidation over Pt/Al₂O₃ catalysts
J. Phys.: Conference Series 712, 012045 (2016) DOI:10.1088/1742-6596/712/1/012045
Y. Li, R. M. Anderson, Z. Duan, S. Chill, R. Crooks, G. Henkelman, A. I. Frenkel
Thermal properties of size-selective nanoparticles: Effect of the particle size on Einstein temperature
J. Phys.: Conference Series 712, 012063 (2016) DOI:10.1088/1742-6596/712/1/012063
J. Wang, Z. Jia, Q. Wang, S. Zhao, Z. Xu, W. Yang, A. I. Frenkel
XAFS characterization of industrial catalysts: in situ study of phase transformation of nickel sulfide
J. Phys.: Conference Series 712, 012145 (2016) DOI:10.1088/1742-6596/712/1/012145
Y. Li, O. Kraynis, J. Kas, T.-C. Weng, D. Sokaras, R. Zacharowicz, I. Lubomirsky, A. I. Frenkel
Geometry of electromechanically active structures in Gadolinium-doped Cerium oxides
AIP Advances, 6, 055320 (2016) DOI:10.1063/1.4952645
S. Lwin, Y. Li, A. I. Frenkel, I. E. Wachs
Nature of WO_x sites on SiO₂ and their molecular structure-reactivity/selectivity relationships for propylene metathesis
ACS Catal,6, 3061-3071 (2016) DOI:10.1021/acscatal.6b00389
L. Nguyen, S. Zhang, L. Wang, Y. Li, H. Yoshida, A. Patlolla, S. Takeda, A. I. Frenkel, F. Tao
Reduction of nitric oxide with hydrogen on catalysis of singly dispersed bimetallic sites Pt₁Co_m and Pd₁Co_n
ACS Catal,6, 840-850 (2016) DOI:10.1021/acscatal.5b00842
J. Wang, Z. Wang, Z. Kia, G. Meng, Z. Xu, W. Yang, A. I. Frenkel
Insight into the local environment of nickel in VSB-1 before and after calcination
Micropor. Mesopor. Materials,223, 157-162 (2016) DOI:10.1016/j.micromeso.2015.11.012

2015

Y. Amit, Y. Li, A. I. Frenkel, U. Banin
From impurity doping to metallic growth in diffusion doping: Properties and structure of Ag doped InAs nanocrystals
ACS Nano 9, 10790-10800 (2015) DOI:10.1021/acsnano.5b03044
S. Zhao, Y. Li, E. Stavitski, R. Tappero, S. Crowley, M. J. Castaldi, D. N. Zakharov, R. G. Nuzzo, A. I. Frenkel, E. A. Stach
Operando characterization of catalysts through use of a portable microreactor (invited) Chem. Cat. Chem. 7, 3683-3691 (2015) DOI:10.1002/cctc.201500688 (Funded at BNL)
A. Elsen, U. Jung, F. D. Vila, Y. Li, O. V. Safonova, R. Thomas, M. Tromp, J. J. Rehr, R. G. Nuzzo, A. I. Frenkel
Intracluster atomic and electronic structural heterogeneities in supported nanoscale metal catalysts
J. Phys. Chem. C 119, 25615-25627 (2015) DOI:10.1021/acs.jpcc.5b08267
B. D. Briggs, N. M. Bedford, S. Seifert, H. Koerner, H. Ramezani-Dakhel, H. Heinz, R. R. Naik, A. I. Frenkel, M. R. Knecht
Atomic-scale identification of Pd leaching in nanoparticle catalyzed C-C coupling: effects of particle surface disorder
Edge article, Chem. Science 6, 6413-6419 (2015) DOI:10.1039/C5SC01424G
S. Lwin, Y. Li, A. I. Frenkel, I. E. Wachs
Activation of surface ReO_x sites on Al₂O₃ catalysts for olefin metathesis
ACS Catalysis 5, 6807-6814 (2015) DOI:10.1021/acscatal.5b01944
H. Liu, W. An, Y. Li, A. I. Frenkel, K. Sasaki, C. Koenigsmann, D. Su, R. M. Anderson, R. M. Crooks, R. R. Adzic, P. Liu, S. S. Wong
In situ probing of the active site geometry of ultrathin nanowires for the oxygen reduction reaction
J. Am. Chem. Soc. 137, 12597-12609 (2015) DOI:10.1021/jacs.5b07093
A. I. Frenkel
Two views at strained nanocrystals from the opposite sides of spatial resolution limit
(Invited), Physica Scripta 90, 098004 (2015)
S. Zhang, L. Nguyen, J.-X. Liang, J. Shan, J. Liu, A. I. Frenkel, A. Patlolla, W. Huang, J. Li, F. Tao
Catalysis on singly dispersed bimetallic sites
Nature Commun. 6, 7938 (2015) DOI:10.1088/0031-8949/90/9/098004
E. A. Stach, Y. Li, S. Zhao, A. Gamalski, D. Zakharov, R. Tappero, K. Chen-Weigart, J. Thieme, U. Jung, A. Elsen, Q. Wu, A. Orlov, J. Chen, R. G. Nuzzo, A. Frenkel
Characterizing working catalysts with correlated electron and photon probes
Microsc. Microanal. 21, Suppl 3, 563-564 (2015) DOI: DOI:10.1017/S143192761500361X (Funded at BNL)
Y. Li, D. Zakharov, S. Zhao, R. Tappero, U. Jung, A. Elsen, Ph. Baumann, R. G. Nuzzo, E. A. Stach, A. I. Frenkel
Complex structural dynamics of nanocatalysts revealed in operando conditions by correlated imaging and spectroscopy probes
Nature Commun. 6, 7583 (2015) DOI:10.1038/ncomms8583 (Funded at BNL)
N. M. Bedford, H. Ramezani-Dakhel, J. M. Slocik, B. D. Briggs, Y. Ren, A. I. Frenkel, V. G. Petkov, H. Heinz, R. R. Naik, M. R. Knecht
Elucidation of peptide-directed palladium surface structure for biologically-tunable nanocatalysts
ACS Nano 9, 5082-5092 (2015) DOI:10.1021/acsnano.5b00168
February 2015 Issue Cover
S. T. Chill, R. M. Anderson, D. F. Yancey, A. I. Frenkel, R. M. Crooks, G. Henkelman
Probing the limits of conventional Extended X-ray Absorption Fine Structure analysis using thiolated Au nanoparticles
ACS Nano 9, 4036-4042 (2015) DOI:10.1021/acsnano.5b00090
U. Jung, A. Elsen, Y. Li, J. G. Smith, M. W. Small, E. A. Stach, A. I. Frenkel, R. G. Nuzzo
Comparative in operando studies in heterogeneous catalysis: Atomic and electronic structural features in the hydrogenation of ethylene over supported Pd and Pt catalysts
ACS Catalysis (Perspective) 5, 1539-1551 (2015) DOI:10.1021/cs501846g
S. Lwin, C. Keturakis, J. Handzlik, P. Sautet, Y. Li, A. I. Frenkel, I. E. Wachs
Surface ReO_x sites on Al₂O₃ and their molecular structure-reactivity relationships for olefin methathesis
ACS Catalysis 5, 1432-1444 (2015) DOI:10.1021/cs5016518
R. Korobko, A. Lerner, Y. Li, E. Wachtel, A. I. Frenkel, I. Lubomirsky
In-situ Extended X-ray Absorption Fine Structure study of electrostriction in Gd doped ceria
App. Phys. Lett.106, 042904 (2015) DOI:10.1063/1.4906857
J. Wang, Q. Wang, X. Jiang, Z. Liu, W. Yang, A. I. Frenkel
Determination of nanoparticle size by measuring the metal-metal bond length: The case of palladium hydride
J. Phys. Chem. C 119, 854-861 (2015) DOI:10.1021/jp510730a

2014

C. S. Spanjers, T. P. Senftle, A. C. T. van Duin, M. J. Janik, A. I. Frenkel, R. M. Rioux
Illiuminating surface atoms in nanoclusters by differential X-ray absorption spectroscopy
(Invited) Phys. Chem. Chem. Phys., 16, 26528-26538 (2014)
J. M. Patete, J. Han, A. L. Tiano, H. Liu, M.-G. Han, J. W. Simonson, Y. Li, A. C. Santulli, M. C. Aronson, A. I. Frenkel, Y. Zhu, S. S. Wong
Observation of ferroelectricity and structure-dependent magnetic behavior in novel one-dimensional motiffs of pure, crystalline Yttrium Manganese Oxides
J. Phys. Chem. C., 118, 21695-21705 (2014)
A. I. Frenkel and J. A. van Bokhoven
X-Ray Spectroscopy for Chemical and Energy Sciences
(invited) J. Synchrotron Radiat., 21, 1084-1089 (2014)
E. M. Erickson, M. E. Oruc, D. J. Wetzel, M. W. Cason, T. T. H. Hoang, M. W. Small, D. Li, A. I. Frenkel, A. A. Gewirth, R. G. Nuzzo
A comparison of atomistic and continuum approaches to the study of bonding dynamics in electrocatalysts: Microcantilever stress and in-situ EXAFS observations of platinum bond expansion due to oxygen adsorption during the oxygen reduction reaction
Anal. Chem., 86, 8368-8375 (2014)
W. Du, G. Yang, E. Wong, N. A. Deskins, A. I. Frenkel, D. Su, X. Teng
Platinum-tin oxide core-shell catalysts for efficient electrooxidation of ethanol
J. Am. Chem. Soc. (Commun.) 136, 10862-10865 (2014)
J. Shan, W. Huang, L. Nguyen, Y. Yu, S. Zhang, Y. Li, A. I. Frenkel, F. Tao
Conversion of methane to methanol with a bent mono (mu-oxo) dinickel anchored on the internal surfaces of micropores
Langmuir 30, 8558-8569 (2014)
L. Zhang, C. Yang, A. I. Frenkel, S. Wang, G. Xiao, K. Brinkman, F. Chen
Co-generation of electricity and chemicals from propane fuel in solid oxide fuel cells with anode containing nano-bimetallic catalyst
J. Power Sources 262, 421-428 (2014)
L.-b. Wu, L.-h. Wu, W.-m. Yang, A. I. Frenkel
Study of the local structure and oxidation state of iron in complexe oxide catalysts for propylene ammoxidation
(Invited) Cat. Sci. & Technol. 4, 2512-2519 (2014)
M. W. Small, J. Kas, K. O. Kvashnina, J. J. Rehr, R. G. Nuzzo, M. Tromp, A. I. Frenkel
Effects of adsorbate coverage and bond length disorder on the d-band center in carbon-supported Pt catalysts
Chem. Phys. Chem. 15, 1569-1572 (2014)
A. I. Frenkel, M. Cason, A. Elsen, U. Jung, M. W. Small, R. G. Nuzzo, F. D. Vila, J. J. Rehr, E. A. Stach, J. C. Yang
Critical review: Effects of complex interactions on structure and dynamics of supported metal catalysts
(Invited) J. Vac. Sci. Technol. A 32, 020801 (2014)
(Top 10 Cited Article in JVST in 2014)

2013

A. I. Frenkel, M. W. Small, J. G. Smith, R. G. Nuzzo, K. O. Kvashnina, M. Tromp
An in situ study of bond strains in 1nm Pt catalysts and their sensitivities to the cluster-support and cluster-adsorbate interactions
J. Phys. Chem. C 117, 23286-23294 (2013)
K. Amakawa, L. Sun, C. Guo, M. Havecker, P. Kube, I. E. Wachs, S. Lwin, A. I. Frenkel, A. Patlolla, K. Hermann, R. Schlogl. A. Trunschke
How strain affects the reactivity of surface metal oxide catalysts
Angew.Chem. Int. Ed. 52, 13553-13557 (2013)
Y. Amit, A. Faust, O. Milo, E. Rabani, A. Frenkel, U. Banin
How to dope a semiconductor nanocrystal
(Invited) ECS Trans. 58, 127-133 (2013)
R. M. Anderson, L. Zhang, J. A. Loussaert, A. I. Frenkel, G. Henkelman, R. M. Crooks
An experimental and theoretical investigation of the inversion of Pd@Pt core@shell dendrimer-encapsulated nanoparticles
ACS Nano7, 9345-9353 (2013)
L. Li, L.-L. Wang, D. Johnson, Z. Zhang, S. Sanchez, J. Kang, R. G. Nuzzo, Q. Wang, A. I. Frenkel, J. Li, J. Ciston, E. Stach, J. C. Yang
Non-crystalline-to-crystalline transformations in Pt nanoparticles
J. Am. Chem. Soc. 135, 13062-13072 (2013)
The Nanoparticle Transformers, a "Science Editor's Choice" review by M. Lavine.
Y. Amit, H. Eshet, A. Faust, A. Patlolla, E. Rabani, U. Banin, A. I. Frenkel
Unraveling the impurity location and binding in heavily doped semiconductor nanocrystals: The case of Cu in InAs nanocrystals
J. Chem. Phys. C 117, 13688-13696 (2013)
A. I. Frenkel, S. Khalid, J. C. Hanson, M. Nachtegaal
QEXAFS in Catalysis Research: Principles, Data Analysis and Applications,
in: "In situ Characterization of Heterogeneous Catalysts", P. Chupas, J. C. Hanson, J. A. Rodriguez, Eds., Wiley, 2013.
A. I. Frenkel, J. C. Hanson
Combined XAFS-XRD methods in Catalysis Research,
in: "In situ Characterization of Heterogeneous Catalysts", P. Chupas, J. C. Hanson, J. A. Rodriguez, Eds., Wiley, 2013.
E. A. Stach, D. Zakharov, M. C. Akatay, P. Baumann, F. Ribeiro, Y. Zvienevich, Y. Li, A. I. Frenkel
Developments in environmental transmission electron microscopy for catalysis research
Microscopy and Microanalysis 19, Suppl. 2, 1174-1175 (2013).
S. Zhang, F. Tao, A. I. Frenkel, S. Takeda
Singly anchored Pt and Pd atoms on Co3O4 and their catalytic performance
Microscopy and Microanalysis 19, Suppl. 2, 1620-1621 (2013).
E. A. Stach, P. Baumann, Y. Li, D. Zakharov, A. I. Frenkel
Using operando methods to characterize working catalysts with TEM, XAS, EXAFS and Raman Spectroscopy
Microscopy and Microanalysis 19, Suppl. 2, 1674-1675 (2013).
S. Zhang, J.-J. Shan, Y. Zhu, A. I. Frenkel, A. Patlolla, W. Huang, S. Yoon, L. Wang, H. Yoshida, S. Takeda, F. Tao
WGS Catalysis and in-situ studies of CoO(1-x)PtCo(n)/Co3O4 and Pt(m)Co(m')/CoO(1-x) nanorod catalysts
J. Am. Chem. Soc. 135, 8283-8293 (2013)
A. Patlolla, Ph. Baumann, W. Xu, S. Senanayake, J. A. Rodriguez, A. I. Frenkel
Characterization of metal-oxide catalysts in operando conditions by combining X-Ray Absorption and Raman spectroscopies in the same experiment
Top. Catal. 56, 896-904 (2013)
D. F. Yancey, S. T. Chill, L. Zhang, A. I. Frenkel, G. Henkelman, R. M. Crooks
A theoretical and experimental examination of systematic liigand-induced disorder in Au dendrimer-encapsulated nanoparticles
Edge article, Chem. Science 4, 2912-2921 (2013)
L. Wang, S. Zhang, Y. Zhu, A. Patlolla, J. Shan, H. Yoshida, S. Takeda, A. I. Frenkel, F. Tao
Catalysis and in situ studies of Rh_1/Co3O4 nanorods in reduction of NO with H2
ACS Catalysis 3, 1011-1019 (2013)
V. Choudhary, S. Mushrif, C. Ho, A. Anderko, V. Nikolakis, N. S. Marinkovic, A. I. Frenkel, S. I. Sandler, D. G. Vlachos
Insights into the interplay of Lewis and Bronsted acid catalysts in glucose and fructose conversion to 5-(Hydroxymethyl)furfural and Levulinic acid in aqueous media
J. Am. Chem. Soc. 135, 3997-4006 (2013)
I. Perelshtein, E. Ruderman, N. Perkas, T. Tzanov, J. Beddow, E. Joyce, T. J. Mason, M. Blanes, K. Molla, A. Patlolla, A. I. Frenkel, A. Gedanken
Chitosan and chitosan-ZnO-based complex nanoparticles: Formation, characterization and antibacterial activity
J. Mater. Chem. B 1, 1968-1976 (2013)
A. I. Frenkel, Q. Wang, S. I. Sanchez, M. W. Small, R. G. Nuzzo
Short range order in bimetallic nanoalloys: an Extended X-Ray Absorption Fine Structure study
J. Chem. Phys. 138, 064202 (2013)
A. Kossoy, Q. Wang, R. Korobko, V. Grover, Y. Feldman, E. Wachtel, A. Tyagi, A. I. Frenkel, I. Lubomirsky
Composition-dependent changes in local structure in Gd-doped ceria
Phys. Rev. B 87, 054101 (2013)

2012

H. Lei, H. Ryu, V. Ivanovski, J. B. Warren, A. I. Frenkel, B. Cekic, W.-G. Yin, C. Petrovic
Structure and physical properties of new layered iron oxychalcogenide BaFe_2OSe_2
Phys. Rev. B 86, 195133 (2012)
V. Lyahovitskaya, Y. Feldman, I. Zon, A. Yoffe, A. I. Frenkel
Strain- arranged structure in amorphous films
J. Mater. Research 27, 2819-2828 (2012)
A. Patlolla, E. V. Carino, S. Ehrlich, E. Stavitski, A. I. Frenkel
Application of operando XAS, XRD and Raman Spectroscopy for phase speciation in water gas shift reaction catalysts
Invited article, ACS Catalysis 2, 2216-2223 (2012)
A. I. Frenkel, J. A. Rodriguez, J. G. Chen
Synchrotron techniques for in situ catalytic studies: Capabilities, challenges and opportunities
Invited Perspective Article, ACS Catalysis 2, 2269-2280 (2012)
R. Korobko, A. Patlolla, E. Wachtel, H. Tuller, A. I. Frenkel, I. Lubomirsky
Giant electrostriction in Gd-doped ceria
Adv. Materials 24, 5857-5861 (2012)
A. I. Frenkel
Applications of Extended X-Ray Absorption Fine Structure spectroscopy to studies of bimetallic nanoparticle catalysts
Chem. Soc. Reviews 41, 8163-8178 (2012)
J. Landon, E. Demeter, N. Inoglu, C. Keturakis, I. E. Wachs, R. Vasic, A. I. Frenkel, J. R. Kitchin
Characterization of mixed Fe-Ni oxide electrocatalysts for the oxygen evolution reaction in alkaline electrolytes
ACS Catalysis 2, 1793-1801 (2012)
J. Matos, L. K. Ono, J. R. Croy, S. Mostafa, A. DeLaRiva, A. Datye, A. I. Frenkel, B. Roldan Cuenya
In situ coarsening study of micellar Pt nanoparticles supported on g-Al2O3: ptetreatment effects
Phys. Chem. Chem. Phys. 14, 11457-11467 (2012)
W. Yan, R. Vasic, A. I. Frenkel, B. E. Koel
Intra-particle reduction of arsenite (As(III)) by nanoscale zerovalent iron (nZVI) investigated with in situ X-ray absorption spectroscopy
Environ. Sci. Technol. 46, 7018-7026 (2012)
H. Ryu, H. Lei, A. I. Frenkel, C. Petrovic
Local structural disorder-induced superconductivity in K(x)Fe(2-y)Se(2) materials
Phys. Rev. B 85, 224515 (2012)
M. W. Small, S. I. Sanchez, N. M. Marinkovic, A. I. Frenkel, R. G. Nuzzo
Influences of adsorbates on the electronic structure, bond strain, and thermal properties of supported, nanoscale Pt catalysts
ACS Nano 6, 5583-5595 (2012)
W.-F. Chen, K. Sasaki, C. Ma, A. I. Frenkel, N. Marinkovic, J. Muckerman, Y. Zhu, R. R. Adzic
Hydrogen-evolution catalysts based on non-noble metal nickel-molybdenum nitride nanosheets
Angew. Chem. Int. Ed., 51, 6131-6135 (2012)
A. I. Frenkel, R. Vasic, B. Dukesz, D. Li, M. Chen, L. Zhang, T. Fujita
Thermal properties of nanoporous gold
Phys. Rev. B 85, 195419 (2012)
A. Patlolla, J. Zunino III, A. I. Frenkel, Z. Iqbal
Thermochromism in Polydiacetylene-metal oxide nanocomposites
J. Mater. Chemistry 22, 7028-7035 (2012)
R. Coppage, J. M. Slocik, B. D. Briggs, A. I. Frenkel, R. R. Naik, M. R. Knecht
Determining peptide sequence effects that control the structure and function of nanoparticles
ACS Nano 6, 1625-1636 (2012)
K.-H. Yih, I. K. Hamdemir, J. E. Mondloch, E. Bayram, S. Ozkar, R. Vasic, A. I. Frenkel, O. Anderson, R. G. Finke
Synthesis and characterization of [(1.5-Cyclooctadiene)Ir(u-H)]_4: A tetrametallic Ir4H4 core, coordinatively unsaturated cluster
Inorg. Chemistry 51, 3186-3193 (2012)
L. Yadgarov, R. Rosentsveig, G. Leitus, A. Albu-Yaron, A. Moshkovitz, V. Perfiliev, R. Vasic, A. I. Frenkel, A. N. Enyashin, G. Seifert, L. Rapoport, R. Tenne
Controlled doping of MS2 (M=W, Mo) nanotubes and fullerene-like nanoparticles
Angew. Chem. Int. Ed. 51, 1148-1151 (2012)
V. S. Myers, A. I. Frenkel, R. M. Crooks
In-situ structural characterization of dendrimer-encapsulated platinum oxygen reduction electrocatalysts
Langmuir 28, 1596-1603 (2012)
E. M. Erickson, M. S. Thorum, R. Vasic, N. S. Marinkovic, A. I. Frenkel, A. A. Gewirth, R. G. Nuzzo
In-situ electrochemical x-ray absorption spectroscopy of oxygen reduction electrocatalysts with high oxygen flux
J. Am. Chem. Soc. (Commun.) 134, 197-200 (2012)

2011

H. Lei, H. Ryu, A. I. Frenkel, C. Petrovic
Anisotropy in BaFe2Se3 single crystals with double chains of FeSe tetrahedra
Phys. Rev. B 84, 214511 (2011)
X.-F. Shen, A. Morey, J. Liu, Y. -S. Ding, J. Durand, Q. Wang, W. Wen, W. A. Hines, J. C. Hanson, J. Bai, A. I. Frenkel, W. Reiff, M. Aindow, S. L. Suib, J. Cai
Characterization of the Fe-doped mixed-valent tunnel structure manganese oxide KOMS-2
J. Phys. Chem. C 115, 21610-21619 (2011)
W. Du, Q. Wang, D. Saxner, N. A. Deskins, D. Su, J. E. Krzanowski, A. I. Frenkel, X. Teng
Highly active Iridium/Iridium-Tin/Tin Oxide heterogeneous nanoparticles as alternative electrcatalysts for the ethanol oxidation reaction reaction
J. Am. Chem. Soc. 133, 15172-15183 (2011)
A. I. Frenkel, Q. Wang, N. Marinkovic, J. G. Chen, L. Barrio, R. Si, A. Lopez Camara, A. M. Estrella, J. A. Rodriguez, J. C. Hanson
Combining x-ray absorption and x-ray diffraction techniques for in situ studies of chemical transformations in heterogeneous catalysis: advantages and limitations
J. Phys. Chem. C 115, 17884-17890 (2011)
Z. Zhang, L. Li, L.-L. Wang, S. I. Sanchez, Q. Wang, D. D. Johnson, A. I. Frenkel, R. G. Nuzzo, J. C. Yang
The role of g-Al2O3 single crystal support to Pt nanoparticles construction
Microscopy and Microanalysis 17, 1324-1325 (2011).
L. Li, Z. Zhang, J. Ciston, E. A. Stach, L.-L. Wang, D. D. Johnson, Q. Wang, A. I. Frenkel, S. I. Sanchez, M. W. Small, R. G. Nuzzo, J. C. Yang
H2-driven crystallization of supported Pt nanoparticles observed with aberration-corrected Environmental TEM
Microscopy and Microanalysis 17, 1604-1605 (2011).
R. Coppage, J. M. Slocik, B. D. Briggs, A. I. Frenkel, H. Heinz, R. R. Naik, M. R. Knecht
Crystallographic recognition controls peptide binding for bio-based nanomaterials
J. Am. Chem. Soc. (Commun.) 133, 12346-12349 (2011)
K. Paredis, L. K. Ono, F. Behafarid, Z. Zhang, J. C. Yang, A. I. Frenkel, B. Roldan Cuenya
Evolution of the structure and chemical state of Pd nanoparticles during the in situ catalytic reduction of NO with H2
J. Am. Chem. Soc. 133, 13455-13464 (2011)
A. I. Frenkel, A. Yevick, C. Cooper, R. Vasic
Modeling the structure and composition of nanoparticles by EXAFS
Ann. Rev. Anal. Chem., 4, 23-39 (2011)
D. Nguyen-Thanh, A. I. Frenkel, J. Wang, S. O'Brien, D. L. Akins
Cobalt-polypyrrole-carbon black (Co-PPY-CB) electrocatalysts for the oxygen reduction reaction (ORR) in fuel cells: Composition and kinetic activity
App. Catalysis B: Environmental, 105, 50-60 (2011)
K. Sasaki, K. Kuttiyiel, L. Barrio, D. Su, A. I. Frenkel, N. Marinkovic, D. Mahajan, R. Adzic
Synthesis and characterization of carbon-supported IrNi core-shell nanoparticles
J. Phys. Chem. C 115, 9894-9902 (2011)
W. Du, Q. Wang, C. A. LaScala, L. Zhang, D. Su, A. I. Frenkel, V. K. Mathur, X. Teng
Ternary PtSnRh-SnO2 nanoclusters: synthesis and electroactivity for ethanol oxidation fuel cell reaction
J. Mater. Chem.,21, 8887-8892 (2011)
W. M. Alley, I. K. Hamdemir, Q. Wang, A. I. Frenkel, L. Li, J. C. Yang, L. D. Menard, R. G. Nuzzo, S. Ozkar, K. Johnson, R. G. Finke
Industrial Ziegler-type hydrogenation catalysts made from Co (neodecanoate)2 or Ni (2-ethylhexanoate)2 and AlEt3: Evidence for nanoclusters and sub-nanocluster or larger Ziegler-nanocluster based catalysis
Langmuir, 27, 6279-6294 (2011)
K. Paredis, L. K. Ono, S. Mostafa, L. Li, Z. Zhang, J. C. Yang, L. Barrio, A. I. Frenkel, B. Roldan Cuenya
Structure, chemical composition, and reactivity correlations during the in-situ oxidation of 2-propanol
J. Am. Chem. Soc. 133, 6728-6735 (2011)
N. Marinkovic, Q. Wang, A. I. Frenkel
In situ diffuse reflectance infrared spectroscopy and x-ray spectroscopy for studies of fast catalytic processes
J. Synchrotron Rad. 18, 447-455 (2011)
M. W. Small, S. I. Sanchez, L. D. Menard, J. H. Kang, A. I. Frenkel, R. G. Nuzzo
The atomic structural dynamics of g-Al2O3 supported Ir-Pt nanocluster catalysts prepared from a bimetallic molecular precursor: A study using aberration-corrected electron microscopy and x-ray absorption spectroscopy
J. Am. Chem. Soc. 133, 3582-3591 (2011)
D. M. Pease, A. I. Frenkel, V. Kraizman, P. Shanthakumar, T. Huang, J. I. Budnick, P. Metcalf, F. A. Chudnovsky, E. A. Stern
Metal-insulator transition in [Cr(x)V(1-x)]2O3: the role of heterogeneity of Cr and V atomic environments
Phys. Rev. B 83, 085105-14 (2011)
W. Du, D. Su, Q. Wang, A. I. Frenkel, X. Teng
Promotional effects of Bismuth on the formation of Platinum-Bismuth nanowires and the electrocatalytic activity toward ethanol oxidation
Crystal Growth & Design 11, 594-599 (2011)
N. Marinkovic, Q. Wang, L. Barrio, S. Ehrlich, S. Khalid, C. Cooper, A. I. Frenkel
Combined in situ X-ray absorption and diffuse reflectance infrared spectroscopy: an attractive tool for catalytic investigations
Nucl. Instr. Meth. Phys. Res. A 649, 204-206 (2011)
A. Piovano, G. Agostini, A. I. Frenkel, T. Bertier, C. Prestipino, M. Ceretti, W. Paulus, C. Lamberti
Time-resolved in situ XAFS study of the electrochemical oxygen interacalation in SrFeO2.5 Brownmillertite structure: comparison with the homologous SrCoO2.5 system
J. Phys. Chem. C 115, 1311-1322 (2011)

2010

A. Kossoy, A. I. Frenkel, Y. Feldman, E. Wachtel, A. Milner, I. Lubomirsky
The origin of elastic anomalies in thin films of oxygen deficient ceria, CeO(2-x)
Sol. St. Ionics 181, 1473-1477 (2010)
B. Roldan Cuenya, A. I. Frenkel, S. Mostafa, F. Behafarid, J. R. Croy, L. K. Ono, Q. Wang
Anomalous lattice dynamics and thermal properties of size- and shape-selected Pt nanoparticles
Phys. Rev. B. 82, 155450 (2010)
S. Mostafa, F. Behafarid, J. R. Croy, L. K. Ono, L. Li, J. C. Yang, A. I. Frenkel, B. Roldan Cuenya
Shape-dependent catalytic properties of Pt nanoparticles
J. Am. Chem. Soc. 132, 15714-15719 (2010)
M. G. Weir, V. Sue Myers, A. I. Frenkel, R. M. Crooks
In situ X-ray absorption analysis of ~ 1.8 nm Dendrimer-encapsulated platinum nanoparticles during electrochemical CO oxidation
ChemPhysChem 11, 2942-2950 (2010)
W. M. Alley, I. Hamdemir, Q. Wang, A. I. Frenkel, L. Li, J. C. Yang, L. D. Menard, R. G. Nuzzo, S. Ozkar, K. A. Johnson, R. G. Finke
Iridium Ziegler-type hydrogenation catalysts made from [(1.5-COD)Ir(u-O2C8H15)]2 and AlEt3: Spectroscopic and kinetic evidence for the Ir_n species present and for nanoparticles as the fastest catalyst
Inorg. Chem. 49, 8131-8147 (2010)
J. E. Mondloch, Q. Wang, A. I. Frenkel, R. G. Finke
Development plus kinetic and mechanistic studies of a prototype supported-nanoparticle heterogeneous catalyst formation system in contact with solution: Ir(1.5-COD)Cl/g-Al2O3 and its reduction by H2 to Ir(0)n/g-Al2O3
J. Am. Chem. Soc. 132, 9701-9714 (2010)
B. Roldan Cuenya, J. R. Croy, S. Mostafa, F. Behafarid, L. Li, Z. Zhang, J. C. Yang, Q. Wang, A. I. Frenkel
Solving the structure of size-selected Pt nanocatalysts synthesized by inverse micelle encapsulation
J. Am. Chem. Soc. 132, 8747-8756 (2010)
J. C. Zheng, A. I. Frenkel, L. Wu, J. Hanson, W. Ku, E. S. Bozin, S. J. L. Billinge, Y. Zhu
Nanoscale disorder and local electronic properties of CaCu3Ti4O12: an integrated study of electron and x-ray diffraction, x-ray absorption fine structure, and first principles calculation
Phys. Rev. B 81, 144203 (2010)
A. Yevick, A. I. Frenkel
Effects of surface disorder on EXAFS modeling of metallic clusters
Phys. Rev. B 81, 115451-7 (2010)
S. Khalid, W. Caliebe, P. Siddons, I. So, B. Clay, T. Lenhard, J. C. Hanson, Q. Wang, A. I. Frenkel, N. Marinkovic, N. Hould, G. Landrot, D. L. Sparks, A. Ganjoo
QEXAFS instrument with milli-second time scale optimized for in situ applications
Rev. Sci. Instrum. 81, 015105 (2010).
A. Kossoy, A. I. Frenkel, Q. Wang, E. Wachtel, I. Lubomirsky
Local structure and strain-induced distortion in Ce0.8Gd0.2O1.9
Advanced Materials 22, 1659-1662 (2010)
M. G. Weir, M. B. Knecht, A. I. Frenkel, R. M. Crooks
Structural analysis of PdAu dendrimer-encapsulated bimetallic nanoparticles
Langmuir, 26, 1137-1146 (2010)
L. Li, Z. Zhang, J. R. Croy, S. Mostafa, B. R. Cuenya, A. I. Frenkel, J. C. Yang
Ultra-small and monodisperse Pt nanoparticles supported on gamma-Al2O3
Microscopy and Microanalysis 16, Suppl. 2, 1192-1193 (2010).
Z. Zhang, L. Li, L. Wang, S. Sanchez, R. Grieshaber, Q. Wang, D. Johnson, A. I. Frenkel, R. Nuzzo, J. Yang
Preparation and characterization of Pt/g-Al2O3 model catalyst on NiAl alloy
Microscopy and Microanalysis 16, Suppl. 2, 1464-1465 (2010).