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Artificial Photosynthesis

2022

  • Polyansky, D. E.; Grills, D. C.; Ertem, M. Z.; Ngo, T.; Fujita, E., The Role of Bimetallic Interactions in Enhancement of Catalytic CO2 Reduction by a Macrocyclic Cobalt Catalyst, ACS Catal. 2022, 12, 3, 1706–1717, DOI: 10.1021/acscatal.1c05043.
  • Fujita, E.; Grills, D. C.; Manbeck, G. F.; Polyansky, D. E., Understanding the Role of Inter- and Intramolecular Promoters in Electro- and Photochemical CO2 Reduction Using Mn, Re, and Ru Catalysts., Acc. Chem. Res. 2022, XXXX, XXX, XXX-XXX (In print),
    DOI: 10.1021/acs.accounts.1c00616

2021

  • Hoque, A. M.; Chowdhury, A. D.; Maji, S.; Benet-Buchholz, J.; Ertem, M. Z.; Gimbert-Surinach, C.; Lahiri, G. K.; Llobet, A., Synthesis, Characterization, and Water Oxidation Activity of Isomeric Ru Complexes,  Chem. 2021, 60, 5791-5803.
    DOI: 10.1021/acs.inorgchem.1c00112
  • Liu, H.; Wang, W. H.; Xiong, H.; Nijamudheen, A.; Ertem, M. Z.; Wang, M.; Duan L., Efficient Iridium Catalysts for Formic Acid Dehydrogenation: Investigating the Electronic Effect on the Elementary β-Hydride Elimination and Hydrogen Formation Steps, Chem. 2021, 60, 3410-3417. DOI: 10.1021/acs.inorgchem.0c03815
  • Badiei, Y. M.; Traba, C.; Rosales, R.; Rojas, A. L.; Amaya, C.; Shahid, M.; Vera-Rolong, C.; Concepcion, J. J., Plasma-Initiated Graft Polymerization of Acrylic Acid onto Fluorine-Doped Tin Oxide as a Platform for Immobilization of Water-Oxidation Catalysts, ACS Appl. Mater. Interfaces 2021, 13, 14077-14090. DOI: 10.1021/acsami.0c19730
  • Sousa, S. F. Ertem, M. Z.; Faustino, L. A.; Machado, A. E. H.; Concepcion, J. J.; Maia, P. I. S.; Patrocinio, A. O. T., Mechanistic Investigation of the Aerobic Oxidation of 2-pyridylacetate Coordinated to a Ru(II) Polypyridyl Complex, Dalton Trans. 2021, 50, 15248-15259.
    DOI: 10.1039/D1DT02461B
  • Rotundo, L.; Grills, D. C.; Gobetto, R.; Priola, E.; Nervi, C.; Polyansky, D. E.; Fujita, E., Photochemical CO2 Reduction Using Rhenium(I) Tricarbonyl Complexes with Bipyridyl-Type Ligands with and without Second Coordination Sphere Effects, ChemPhotoChem 2021, 5, 494-494, DOI: 10.1002/cptc.202000307. Front cover article.
  • Nganga, J. K.; Wolf, L. M.; Mullick, K.; Reinheimer, E.; Saucedo, C.; Wilson, M. E.; Grice, K. A.; Ertem, M. Z.; Angeles-Boza, A. M., Methane generation from CO2with a molecular rhenium catalyst,  Chem. 2021, 60, 3572–3584. DOI: 10.1021/acs.inorgchem.0c02579.
  • Yang, Y.; Ertem, M. Z.; Duan, L., Amide-based second coordination sphere promotes the dimer pathway of Mn-catalyzed CO2-to-CO reduction at low overpotential,  Sci.2021, 12, 4779-4788, DOI: 10.1039/D0SC05679K.
  • DiMarco, B. N.; Polyansky, D. E.; Grills, D. C.; Wang, P.; Kuwahara, Y.; Zhao, X.; Fujita, E., Structural and Electronic Influences on Rates of Tertpyridine−Amine CoIII−H Formation During Catalytic H2 Evolution in an Aqueous Environment, ChemPhysChem 2021, 22, 1478-1487,
    DOI: 10.1002/cphc.202100295.
  • Nijamudheen, A.; Kanega, R.; Onishi, N.; Himeda, Y.; Fujita, E.; Ertem, M. Z., Distinct mechanisms and hydricities of Cp*Ir-based CO2hydrogenation catalysts in basic water, ACS Catal. 2021, 11, 5776–5788. DOI: 10.1021/acscatal.0c04772.
  • Sampaio, R. N.; DiMarco, B. N.; Concepcion, J. J., Proton-Coupled Group Transfer Enables Concerted Protonation Pathways Relevant to Small-Molecule Activation, Chem. 2021, 60, 16953-16965. Journal cover article. DOI: 10.1021/acs.inorgchem.1c01609
  • Curley, J. B.; Smith, N. E.; Bernskoetter, W. H.; Ertem, M. Z.; Hazari, N.; Mercado, B. Q.; Townsend, T. M.; Wang, X., Understanding the Reactivity and Decomposition of a Highly Active Iron Pincer Catalyst for Hydrogenation and Dehydrogenation Reactions, ACS Catal. 2021, 11, 10631–10646. DOI: 10.1021/acscatal.1c03347.
  • Vargo N. P.; Harland J. B.; Musselman B. W.; Lehnert N.; Ertem M. Z.; Robinson J. R., Calcium‐ion Binding Mediates the Reversible Interconversion of Cis and Trans Peroxido Dicopper Cores, Chem. Int. Ed. 2021, 60, 19836–19842. DOI: 10.1002/anie.202105421.
  • Photodriven water oxidation initiated by a surface bound chromophore-donor-catalyst assembly, Wang, D.; Xu, Z.; Sheridan, M. V.; Concepcion, J. J.; Li, F.; Lian, T.; Meyer, T. J., Sci. 2021, 12, 14441-14450. DOI: 10.1039/D1SC03896F
  • Muñoz-García, A. B.; Benesperi, I.; Boschloo, G.; Concepcion, J. J.; Delcamp, J. H.; Gibson, E. A.; Meyer, G. J.; Pavone, M.; Pettersson, H.; Hagfeldt, A.; Freitag, M., Dye-sensitized solar cells strike back, Soc. Rev. 2021, 50, 12450-12550. DOI: 10.1039/D0CS01336F
  • Takasugi, S.: Miseki, Y.; Konishi, Y.; Sasaki, K.; Fujita, E.; Sayama, K., H2O2 production both on carbon cathode loaded with nickel carbonate catalyst and on oxide photoanode without external bias, RSC Advances, 2021, 11, 11224-11232, DOI: 10.1039/d1ra01045j.
  • Nijamudheen, Ryoichi Kanega, Naoya Onishi, Yuichiro Himeda, Etsuko Fujita, Mehmed Z. Ertem, Distinct Mechanisms and Hydricities of Cp*Ir-Based CO2 Hydrogenation Catalysts in Basic Water, ACS Catal. 2021, 11, 5776-5788, DOI: 10.1021/acscatal.0c04772.

2020

  • Wang, L.; Shaffer, D. W.; Manbeck, G. F.; Polyansky, D. E.; Concepcion, J. J., High-Redox-Potential Chromophores for Visible-Light-Driven Water Oxidation at Low pH. ACS Catal. 2020,10 (1), 580-585. DOI:10.1021/acscatal.9b04034
  • Sampaio, R. N.; Grills, D. C.; Polyansky, D. E.; Szalda, D. J.; Fujita, E., Unexpected Roles of Triethanolamine in the Photochemical Reduction of CO2 to Formate by Ruthenium Complexes. Am. Chem. Soc. 2020,142 (5), 2413-2428. DOI:10.1021/jacs.9b11897
  • Vereshchuk, N.; Matheu, R.; Benet-Buchholz, J.; Pipelier, M.; Lebreton, J.; Didier, D. D.; Tessier, A.; Gimbert-Surinach, C.; Ertem, M. Z.; Llobet, A., Second Coordination Sphere Effects in an Evolved Ru Complex Based on Highly Adaptable Ligand Results in Rapid Water Oxidation Catalysis. Am. Chem. Soc. 2020,142 (11), 5068-5077. DOI:10.1021/jacs.9b11935
  • Ertem, M. Z.; Concepcion, J. J., Oxygen Atom Transfer as an Alternative Pathway for Oxygen- Oxygen Bond Formation. Chem. 2020,59 (9), 5966-5974. DOI:10.1021/acs.inorgchem.9b03751
  • Kanega, R.; Ertem, M. Z.; Onishi, N.; Szalda, D. J.; Fujita, E.; Himeda, Y., CO2 Hydrogenation and Formic Acid Dehydrogenation Using Ir Catalysts with Amide-Based Ligands. Organometallics 2020,39 (9), 1519-1531. Invited paper to a special issue “Organometallic Chemistry for Enabling Carbon Dioxide Utilization” Inside cover graphic. DOI:10.1021/acs.organomet.9b00809
  • Manbeck, G. F.; Polyansky, D. E.; Fujita, E., Comprehensive Mechanisms of Electrocatalytic CO2 Reduction by Ir(bip)(ppy)(CH3CN)(PF6)2. ACS Catal. 2020,10 (11), 6497-6509. DOI:10.1021/acscatal.9b04371
  • Rotundo, L.; Polyansky, D. E.; Gobetto, R.; Grills, D. C.; Fujita, E.; Nervi, C.; Manbeck, G. F., Molecular Catalysts with Intramolecular Re-O Bond for Electrochemical Reduction of Carbon Dioxide. Chem. 2020,59 (17), 12187-12199. DOI:10.1021/acs.inorgchem.0c01181
  • Grills, D. C.; Ertem, M. Z.; McKinnon, M.; Ngo, K. T.; Rochford, J., Corrigendum to "Mechanistic aspects of CO2 reduction catalysis with manganese-based molecular catalysts" (vol 374, pg 173, 2018). Chem. Rev. 2020,420, Article 213420. DOI:10.1016/j.ccr.2020.213420
  • Souza, B. L.; Faustino, L. A.; Prado, F. S.; Sampaio, R. N.; Maia, P. I. S.; Machado, A. E. H.; Patrocinio, A. O. T., Spectroscopic characterization of a new Re(I) tricarbonyl complex with a thiosemicarbazone derivative: towards sensing and electrocatalytic applications. Dalton Trans. 2020,49 (45), 16368-16379. DOI:10.1039/D0DT01078B

2019

  • Onishi, N.; Kanega, R.; Fujita, E.; Himeda, Y., 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. Synth. Catal. 2019,361 (2), 289-296. Invited paper for a special issue “CO2 utilization”, inside cover graphic. DOI:10.1002/adsc.201801323
  • Badiei, Y. M.; Xie, Y.; Renderos, G.; Concepcion, J. J.; Szalda, D.; Guevara, J.; Rosales, R.; Ortiz, E.; Hankins, M., Rapid identification of homogeneous O2 evolution catalysts and comparative studies of Ru(II)-carboxamides vs. Ru(II)-carboxylates in water-oxidation. Catal. 2019,369, 10-20. DOI:10.1016/j.jcat.2018.10.009
  • Hsieh, Y. C.; Betancourt, L. E.; Senanayake, S. D.; Hu, E. Y.; Zhang, Y.; Xu, W. Q.; Polyansky, D. E., Modification of CO2 Reduction Activity of Nanostructured Silver Electrocatalysts by Surface Halide Anions. ACS Appl. Energy Mater. 2019,2 (1), 102-109. DOI:10.1021/acsaem.8b01692
  • Lopes, J. M. S.; Sharma, K.; Sampaio, R. N.; Batista, A. A.; Ito, A. S.; Machado, A. E. H.; Araujo, P. T.; Neto, N. M. B., Novel insights on the vibronic transitions in free base meso-tetrapyridyl porphyrin. Acta Part A 2019,209, 274-279. DOI:10.1016/j.saa.2018.10.054
  • Matheu, R.; Ertem, M. Z.; Gimbert-Surinach, C.; Sala, X.; Llobet, A., Seven Coordinated Molecular Ruthenium-Water Oxidation Catalysts: A Coordination Chemistry Journey. Rev. 2019,119 (6), 3453-3471. DOI:10.1021/acs.chemrev.8b00537
  • McKinnon, M.; Ngo, K. T.; Sobottka, S.; Sarkar, B.; Ertem, M. Z.; Grills, D. C.; Rochford, J., Synergistic Metal-Ligand Redox Cooperativity for Electrocatalytic CO2 Reduction Promoted by a Ligand-Based Redox Couple in Mn and Re Tricarbonyl Complexes. Organometallics 2019,38 (6), 1317-1329. DOI:10.1021/acs.organomet.8b00584
  • Takasugi, S.; Miseki, Y.; Sasaki, K.; Fujita, E.; Sayama, K., Significance of an anion effect in the selective oxidation of Ce3+ to Ce4+ over a porous WO3Electrochim. Acta 2019,307, 369-374. DOI:10.1016/j.electacta.2019.03.178
  • Gonell, S.; Massey, M. D.; Moseley, I. P.; Schauer, C. K.; Muckerman, J. T.; Miller, A. J. M., The Trans Effect in Electrocatalytic CO2 Reduction: Mechanistic Studies of Asymmetric Ruthenium Pyridyl-Carbene Catalysts. Am. Chem. Soc. 2019,141 (16), 6658-6671. DOI:10.1021/jacs.9b01735
  • Lymar, S. V.; Manbeck, G. F.; Polyansky, D. E., Hydrogen bonding between hydroxylic donors and MLCT- excited Ru(bpy)2(bpz)2+ complex: implications for photoinduced electron-proton transfer. Commun. 2019,55 (42), 5870-5873. DOI:10.1039/C9CC01896D
  • Wang, L.; Polyansky, D. E.; Concepcion, J. J., Self-Assembled Bilayers as an Anchoring Strategy: Catalysts, Chromophores, and Chromophore-Catalyst Assemblies. Am. Chem. Soc. 2019,141 (20), 8020-8024. DOI:10.1021/jacs.9b01044
  • Matheu, R.; Garrido-Barros, P.; Gil-Sepulcre, M.; Ertem, M. Z.; Sala, X.; Gimbert-Surinach, C.; Llobet, A., The development of molecular water oxidation catalysts. Nature Rev. Chem. 2019,3 (5), 331-341. DOI:10.1038/s41570-019-0096-0
  • Matsubara, Y.; Grills, D. C.; Koide, Y., Thermodynamic Cycles Relevant to Hydrogenation of CO2 to Formic Acid in Water and Acetonitrile. Lett. 2019,48 (7), 627-629. DOI:10.1246/cl.190180
  • Singh, N.; Botcha, N. K.; Jones, T. M.; Ertem, M. Z.; Niklas, J.; Farquhar, E. R.; Poluektov, O. G.; Mukherjee, A., Reactivity of bio-inspired Cu(II) (N2/Py2) complexes with peroxide at room temperature. Inorg. Biochem. 2019,197, 110674. DOI:10.1016/j.jinorgbio.2019.03.014
  • McKinnon, M.; Belkina, V.; Ngo, K. T.; Ertem, M. Z.; Grills, D. C.; Rochford, J., An Investigation of Electrocatalytic CO2 Reduction Using a Manganese Tricarbonyl Biquinoline Complex. Chem. 2019,7. DOI:10.3389/fchem.2019.00628
  • Wang, D. G.; Wang, L.; Brady, M. D.; Dares, C. J.; Meyer, G. J.; Meyer, T. J.; Concepcion, J. J., Self-Assembled Chromophore-Catalyst Bilayer for Water Oxidation in a Dye-Sensitized Photoelectrosynthesis Cell. Phys. Chem. C 2019,123 (50), 30039-30045. Journal Cover Article, ACS Editors’ Choice Article. DOI:10.1021/acs.jpcc.9b07125
  • Matheu, R.; Ertem, M. Z.; Gimbert-Surinach, C.; Sala, X.; Llobet, A., Seven Coordinated Molecular Ruthenium-Water Oxidation Catalysts: A Coordination Chemistry Journey. Rev. 2019, 119, 3453-3471. DOI: 10.1021/acs.chemrev.8b00537

2018

  • Luo, S.; Nguyen-Phan, T. D.; Vovchok, D.; Waluyo, I.; Palomino, R. M.; Gamalski, A. D.; Barrio, L.; Xu, W. Q.; Polyansky, D. E.; Rodriguez, J. A.; Senanayake, S. D., Enhanced, robust light-driven H2 generation by gallium-doped titania nanoparticles. PCCP 2018,20 (3), 2104-2112. DOI:10.1039/C7CP04155A
  • Kanega, R.; Onishi, N.; Wang, L.; Murata, K.; Muckerman, J. T.; Fujita, E.; Himeda, Y., Picolinamide-Based Iridium Catalysts for Dehydrogenation of Formic Acid in Water: Effect of Amide N Substituent on Activity and Stability. Chem. Eur. J. 2018,24 (69), 18389-18392. Invited paper to a special issue “Renewable Energy” Inside cover graphic. DOI:10.1002/chem.201800428
  • Koike, K.; Grills, D. C.; Tamaki, Y.; Fujita, E.; Okubo, K.; Yamazaki, Y.; Saigo, M.; Mukuta, T.; Onda, K.; Ishitani, O., 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. 2018,9 (11), 2961-2974. DOI:10.1039/c7sc05338j
  • Matheu, R.; Ertem, M. Z.; Pipelier, M.; Lebreton, J.; Dubreuil, D.; Benet-Buchholz, J.; Sala, X.; Tessier, A.; Llobet, A., The Role of Seven-Coordination in Ru-Catalyzed Water Oxidation. ACS Catal. 2018,8 (3), 2039-2048. DOI:10.1021/acscatal.7b03638.
  • Shimoda, T.; Morishima, T.; Kodama, K.; Hirose, T.; Polyansky, D. E.; Manbeck, G. F.; Muckerman, J. T.; Fujita, E., Photocatalytic CO2 Reduction by Trigonal-Bipyramidal Cobalt(II) Polypyridyl Complexes: The Nature of Cobalt(I) and Cobalt(0) Complexes upon Their Reactions with CO2, CO, or Proton. Inorg. Chem. 2018,57 (9), 5486-5498. DOI:10.1021/acsinorgchem.8b00433
  • Brennaman, M. K.; Gish, M. K.; Alibabaei, L.; Norris, M. R.; Binstead, R. A.; Nayak, A.; Lapides, A. M.; Song, W. J.; Brown, R. J.; Concepcion, J. J.; Templeton, J. L.; Papanikolas, J. M.; Meyer, T. J., Pathways Following Electron Injection: Medium Effects and Cross-Surface Electron Transfer in a Ruthenium-Based, Chromophore-Catalyst Assembly on TiO2. J. Phys. Chem. C 2018,122 (24), 13017-13026. DOI:10.1021/acs.jpcc.8b04837
  • Wang, L.; Yan, D. H.; Shaffer, D. W.; Ye, X. Y.; Layne, B. H.; Concepcion, J. J.; Liu, M. Z.; Nam, C. Y., Improved Stability and Performance of Visible Photoelectrochemical Water Splitting on Solution-Processed Organic Semiconductor Thin Films by Ultrathin Metal Oxide Passivation. Chem. Mater. 2018,30 (2), 324-335. DOI:10.1021/acs.chemmater.7b02889
  • Miyase, Y.; Takasugi, S.; Iguchi, S.; Miseki, Y.; Gunji, T.; Sasaki, K.; Fujita, E.; Sayama, K., Modification of BiVO4/WO3 composite photoelectrodes with Al2O3 via chemical vapor deposition for highly efficient oxidative H2O2 production from H2O. Sustainable Energy Fuels 2018,2 (7), 1621-1629. DOI:10.1039/c8se00070k
  • Schneider, T. W.; Hren, M. T.; Ertem, M. Z.; Angeles-Boza, A. M., RuII(tpy)(bpy)Cl+-Catalyzed reduction of carbon dioxide. Mechanistic insights by carbon-13 kinetic isotope effects. Chem. Commun. 2018,54 (61), 8518-8521. DOI:10.1039/C8CC03009J
  • Wang, L.; Ertem, M. Z.; Kanega, R.; Murata, K.; Szalda, D. J.; Muckerman, J. T.; Fujita, E.; Himeda, Y., Additive-Free Ruthenium-Catalyzed Hydrogen Production from Aqueous Formaldehyde with High Efficiency and Selectivity. ACS Catal. 2018,8 (9), 8600-8605. DOI:10.1021/acscatal.8b02088
  • Xie, Y.; Shaffer, D. W.; Concepcion, J. J., O-O Radical Coupling: From Detailed Mechanistic Understanding to Enhanced Water Oxidation Catalysis. Inorg. Chem. 2018,57 (17), 10533-10542. Journal Cover Article, ACS Editors’ Choice Article, Most-Read Article in Inorganic Chemistry in 2018. DOI:10.1021/acs.inorgchem.8b00329
  • Matheu, R.; Ghaderian, A.; Francas, L.; Chernev, P.; Ertem, M. Z.; Benet-Buchholz, J.; Batista, V. S.; Haumann, M.; Gimbert-Surinach, C.; Sala, X.; Llobet, A., Behavior of Ru-bda Water-Oxidation Catalysts in Low Oxidation States. Chem. Eur. J. 2018,24 (49), 12838-12847. DOI:10.1002/chem.201801236
  • Wang, L.; Ertem, M. Z.; Murata, K.; Muckerman, J. T.; Fujita, E.; Himeda, Y., Highly Efficient and Selective Methanol Production from Paraformaldehyde and Water at Room Temperature. ACS Catal. 2018,8 (6), 5233-5239. DOI:10.1021/acscatal.8b00321
  • Grills, D. C.; Ertem, M. Z.; McKinnon, M.; Ngo, K. T.; Rochford, J., Mechanistic aspects of CO2 reduction catalysis with manganese-based molecular catalysts. Coord. Chem. Rev. 2018,374, 173-217. DOI:10.1016/j.ccr.2018.05.022
  • Lymar, S. V.; Ertem, M. Z.; Polyansky, D. E., Solvent-dependent transition from concerted electron-proton to proton transfer in photoinduced reactions between phenols and polypyridine Ru complexes with proton-accepting sites. Dalton Trans. 2018,47 (44), 15917-15928. DOI:10.1039/C8DT03858A

2017

  • Suna, Y., Himeda, Y.; Fujita, E.; Muckerman, J. T.; Ertem, M. Z., Iridium Complexes with Proton-Responsive Azole-Type Ligands as Effective catalysts for CO2 Hydrogenation, ChemSusChem, 2017, 10, 4535-4543, DOI:10.1002/cssc.201701676.
  • Grills, D. C.; Polyansky, D. E., Fujita, E., Application of Pulse Radiolysis to Mechanistic Investigations of Catalysis Relevant to Artificial Photosynthesis, ChemSusChem 2017, 10, 4359-4373, DOI:10.1002/cssc.201701559.
  • Dau, H.; Fujita, E.; Sun, L., Artificial Photosynthesis: Beyond Mimicking Nature, ChemSusChem 2017, 10, 4228-4235, DOI:10.1002/cssc.201702106.
  • Lymar, S. V.; Ertem, M. Z.; Lewandowska-Andralojc, A.; Polyansky, D. E., Role of Hydrogen Bonding in Photoinduced Electron–Proton Transfer from Phenols to a Polypyridine Ru Complex with a Proton-Accepting Ligand, J. Phys. Chem. Lett. 2017, 8, 4043-4048, DOI:10.1021/acs.jpclett.7b01614.
  • Kanega, R.; Onishi, N.; Szalda, D. J.; Ertem, M. Z.; Muckerman, J. T.; Fujita, E.; Himeda, Y., CO2 Hydrogenation catalysts with Deprotonated Picolonamide Ligands, ACS Catal. 2017, 7, 6426-6429. DOI:10.1021/acscatal.7b02280.
  • Manbeck, G. F.; Fujita, E.; Brewer, K., Tetra- and Heptametallic Ru(II),Rh(III) Supramolecular Hydrogen Production Photocatalysts, J. Am. Chem. Soc. 2017, 139, 7843−7854, DOI:10.1021/jacs.7b02142
  • Kumagai, H.; Hammarström, L.; Whang, D. R.; Shinohara, Y.; Martinez, J.; Karlsson, J.; Summers, P.; Windle, C. D.; Kodera, M.; Cogdell, R.; Tolod, K. R.; Apaydin, D. H.; Fujita, E.; Kibler, A.; Fan, F.; Gibson, E. A.; Usami, H.; Iwase, A.; Inoue, H.; Kudo, A.; Gust, D.; Domen, K.; Cassiola, F.; Takagi, K.; Kang, S.O.; Yamakata, A.; Li, C.; Sun, L.; Park, H.; Kang, Y. S.; Li, R.; Fonzo, F. D.; Setoyama, T.; Ishitani, O., Inorganic assembly catalysts for artificial photosynthesis: general discussion, Faraday Discuss., 2017, 198, 481-507, DOI:10.1039/c7fd90018j.
  • Wang, M,; Artero, V.; Hammarström, L.; Martinez, J.; Karlsson, J.; Gust, D.; Summers, P.; Machan, C.; Brueggeller, P.; Windle, C. D.; Kageshima, Y.; Cogdell, R.; Tolod, K. R.; Kibler, A.; Apaydin, D. H.; Fujita, E.; Ehrmaier, J.; Shima, S.; Gibson, E.; Karadas, F.; Harriman, A.; Inoue, H.; Kudo, A.; Takayama, T.; Wasielewski, M.; Cassiola, F.; Yagi, M.; Ishida, H.; Franco, F.; Kang, S. O.; Nocera, D.; Li, C.; Fonzo, F. D.; Park, H.; Sun, L.; Setoyama, T.; ;Kang, Y. S.; Ishitani, O.; Shen, J.-R; Son, H.-J.; Masaoka, S., Molecular catalysts for artificial photosynthesis: general discussion, Faraday Discuss., 2017, 198, 353-395, DOI:10.1039/c7fd90017a.
  • Artero, V.; Hammarstrom, L.; Fan, F. T.; Whang, D. R.; Martinez, J.; Harriman, A.; Noguchi, T.; Karlsson, J.; Summers, P.; Itoh, S.; Cogdell, R.; Kibler, A.; Ehrmaier, J.; Tamiaki, H.; Fujita, E.; Shima, S.; Yoshino, S.; Inoue, H.; Wasielewski, M.; Corry, T.; Gust, D.; Cassiola, F.; Ishida, H.; Takagi, K.; Kang, S. O.; Li, C.; Sun, L. C.; Park, H.; Hashimoto, H.; Amao, Y.; Son, E. J.; Kamiya, N.; Shen, J. R.; Yamaguchi, K., Biological approaches to artificial photosynthesis, fundamental processes and theoretical approaches: general discussion. Faraday Discuss. 2017, 198, 147-168. DOI:10.1039/c7fd90016c.
  • Manbeck, G. F.; Garg, K.; Shimoda, T.; Szalda, D. J.; Ertem, M. Z.; Muckerman, J. T.; Fujita, E., Hydricity, Electrochemistry, and Excited-State Chemistry of Ir Complexes for CO2 Reduction, Faraday Discuss. 2017, 198, 301-317, DOI:10.1039/c6fd00223d.
  • Wang, L.; Onishi, N.; Murata, K.; Hirose, T.; Muckerman, J. T.; Fujita, E.; Himeda, Y., Efficient Hydrogen Storage and Production using an Iridium Catalyst with an Imidazoline-Based Proton-Responsive Ligand in Water, ChemSusChem, 2017, 10, 1071-1075, DOI:10.1002/cssc.201601437.
  • Nganga, J. K; Samanamu, C. R.; Tanski, J. M.; Pacheco, C.; Saucedo, C.; Batista, V. S.; Grice, K. A.; Ertem, M. Z.; Angeles-Boza, A. M., Electrochemical Reduction of CO2 Catalyzed by Re(pyridine-oxazoline)(CO)3Cl Complexes, Inorg. Chem. 2017, 56, 3214-3226. DOI:10.1021/acs.inorgchem.6b02384.
  • Ngo, K. T.; McKinnon, M.; Mahanti, B.; Narayanan, R. P.; Grills, D. C.; Ertem, M. Z.; Rochford, J., Turning on the Protonation-First Pathway for Electrocatalytic CO2 Reduction by Manganese Bipyridyl Tricarbonyl Complexes, J. Am. Chem. Soc. 2017, 139, 2604-2618. DOI:10.1021/jacs.6b08776.
  • Shaffer, David W.; Xie, Yan; Concepcion, Javier J., O-O bond formation in ruthenium-catalyzed water oxidation: single-site nucleophilic attack vs. O-O radical coupling, Chem. Soc. Rev., 2017, 46(20), 6170-6193. DOI:10.1039/C7CS00542C.
  • Matheu, R.; Ertem, M. Z.; Gimbert-Surinach, C.; Benet-Buchholz, J.; Sala, X.; Llobet, A., Hydrogen Bonding Rescues Overpotential in Seven Coordinated Ru Water Oxidation Catalysts, J. ACS Catal. 2017, 7, 6525-6532. DOI:10.1021/acscatal.7b01860.
  • Shaffer, D. W.; Xie, Y.; Szalda, D. J.; Concepcion, J. J., Lability and Basicity of Bipyridine-Carboxylate-Phosphonate Ligand Accelerate Single-Site Water Oxidation by Ruthenium-Based Molecular Catalysts, J. Am. Chem. Soc. 2017, 139(43), 15347-15355, DOI:10.1021/jacs.7b06096
  • B. D.; Xie, Y.; Sheridan, M. V.; Wang, D.; Shaffer, D. W.; Meyer, T. J.; Concepcion, J. J., Light-Driven Water Splitting by a Covalently Linked Ruthenium-Based Chromophore-Catalyst Assembly, Sherman, ACS Energy Lett. 2017, 2, 124-128. DOI:10.1021/acsenergylett.6b00661.
  • Li, Y.; Kuttiyiel, K. A.; Lijun Wu, L.; Zhu, Y.; Fujita, E.; Adzic. R. R.; Sasaki, K., Enhancing Electrocatalytic Performance of Bifunctional Cobalt Manganese Oxynitride Nanocatalysts on Graphene, ChemSusChem. 2017,10, 68-73. DOI:10.1002/cssc.201601188 (with Electrochemistry group).

2016

  • Min, S.; Rasul, S.; Li, H.; Grills, D. C.; Takanabe, K.; Li, L.-J.; Huang, K.-W., Electrocatalytic Reduction of Carbon Dioxide with a Well-Defined PN3-Ru Pincer Complex, ChemPlusChem 2016, 81, 166-171. DOI:10.1002/cplu.201500474.
  • Shaffer, D. W.; Xie, Y.; Szalda, D. J.; Concepcion, J. J. Manipulating the Rate-Limiting Step in Water Oxidation Catalysis by Ruthenium Bipyridine-Dicarboxylate Complexes,Inorg. Chem. 2016, 55, 12024-12035. DOI:10.1021/acs.inorgchem.6b02193.
  • Matsubara, Y.; Grills, D. C.; Koide, Y. 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 2016, 1, 1393-1411. DOI:10.1021/acsomega.6b00129. S
  • Schneider, T.; Ertem, M. Z.; Muckerman, J. T.; Angeles-Boza, A. M. Mechanism of Photocatalytic Reduction of CO2 by Re(bpy)(CO)3Cl from Differences in Carbon Isotope Discrimination, ACS Catal. 2016, 6, 5473-5481. DOI: 10.1021/acscatal.5b01976.
  • Manbeck, G. F.; Fujita, E.; Concepcion, J. J. Proton Coupled Electron Transfer in a Strongly Coupled Photosystem II-Inspired Chromophore-Imidazole-Phenol Complex: Stepwise Oxidation and Concerted Reduction, J. Am. Chem. Soc. 2016,138, 11536-11549. DOI:10.1021/jacs.6b03506..
  • Xie, Y.; Shaffer, D. W.; Lewandowska-Andralojc, A.; Szalda, D. J.; Concepcion, J. J. Water oxidation by ruthenium complexes incorporating multifunctional bipyridyl diphosphonate ligands, Angew. Chem. Int. Ed., 2016, 55, 8067-8071. DOI:10.1002/anie.201601943.
  • Nguyen-Phan, T.-D.; Luo, S.; Vovchok, D.; Llorca, J.; Sallis, S.; Kattel, S.; Xu, W.; Piper, L. F. J.; Polyansky, D. E.; Senanayake, S. D.; Stacchiola, D. J. and Rodriguez, J. A. Three-Dimensional Ruthenium-Doped TiO2 Sea Urchins for Enhanced Visible-Light-Responsive H2 Production, Phys. Chem. Chem. Phys., 2016, 18, 15972-15979. DOI: 10.1039/C6CP00472E
  • Ho, J.; Ertem, M. Z. Calculating Free Energy Changes in Continuum Solvation Models J. Phys. Chem. B, 2016, 120, 1319-1329. DOI: 10.1021/acs.jpcb.6b00164
  • Duan, L.; Manbeck, G. F.; Kowalczyk, M.; Szalda, D. J.; Muckerman, J.T.; Himeda, Y.; Fujita, E. A Non-Innocent Proton-Responsive Ligand Facilitates Reductive Deprotonation and Hinders CO2 Reduction Catalysis in [Ru(tpy)(6DHBP)(NCCH3)]2+ (6DHBP = 6,6ʹ-(OH)2bpy), Inorg. Chem. 2016, 55, 4582–4594. DOI: 10.1021/acs.inorgchem.6b00398
  • Nguyen-Phan, T.-D.; Liu, Z.; Luo, S.; Gamalski, A. D.; Vovchok, D.; Xu, W.; Stach, E. A.; Polyansky, D. E.; Fujita, E.; Rodriguez, J. A.; Senanayake, S. D. Unravelling 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, J. Phys. Chem. C. 2016, 120, 3472-3482. DOI:10.1021/acs.jpcc.5b09504
  • Nguyen-Phan, T.-D.; Luo, S.; Vovchok, D.; Llorca, J.; Graciani, J.; Sanz, J. F.; Sallis, S.; Xu, W.; Bai, J.; Piper, L. F. J.; Polyansky, D. E.; Fujita, E.; Senanayake, S. D.; Stacchiola, D. J.; Rodriguez, J. A. Visible Light-Driven H2 Production over Highly Dispersed Ruthenia on Rutile TiO2 Nanorods, ACS Catal. 2016, 6, 407-417. DOI:10.1021/acscatal.5b02318
  • Onishi, N.; Ertem, M. Z.; Xu, S.; Tsurusaki, A.; Manaka, Y.; Muckerman, J. T.; Fujita, E.; Himeda, Y. Direction to practical production of hydrogen by formic acid dehydrogenation with Cp*Ir complexes bearing imidazoline ligands, Catal. Sci. Tech. 2016, 6, 988-992. DOI:10.1039/c5cy01865j
  • Ertem, M. Z; Himeda, Y.; Fujita, E.; Muckerman, J. T. Interconversion of Formic Acid and Carbon Dioxide by Proton-Responsive, Half Sandwich Cp*Ir(III) Complexes: A Computational Mechanistic Investigation, ACS Catal. 2016, 6, 600-609. DOI:10.1021/acscatal.5b01663

2015

  • Manbeck, G. F.; Fujita, E., A Review of Iron and Cobalt Porphyrins, Phthalocyanines, and Related Complexes for Electrochemical and Photochemical Reduction of Carbon Dioxide, J. Porphyrins Phthalocyanines, 2015, 19, 45-64. DOI:10.1142/S1088424615300013.
  • Xu, S.; Onishi, N.; Tsurusaki, A.; Manaka, Y.; Wang, W.-H.; Muckerman, J. T. Fujita, E.; Himeda, Y. Highly Efficient Cp*Ir Catalysts with Imidazoline Ligands for CO2 Hydrogenation, Eur. J. Inorg. Chem., 2015, 5591-5594. DOI:10.1002/ejic.201501030
  • Khan, S.; Yang, K.; Ertem, M. Z.; Batista, V. S.; Brudvig, G. W., Mechanism of Manganese-Catalyzed Oxygen Evolution from Experimental and Theoretical Analyses of 18O Kinetic Isotope Effects, ACS Catal. 2015, 5, 7104-7113. DOI:10.1021/acscatal.5b01976.
  • Manbeck, G. F.; Muckerman, J. T.; Szalda, D. J.; Himeda, Y.; Fujita, E., Push or Pull? Proton Responsive Ligand Effects in Rhenium Tricarbonyl CO2 Reduction Catalysts, J. Phys. Chem. B, 2015, 119, 7457-7466. DOI:10.1021/jp511131x.
  • Garg, K.; Matsubara,Y.; Ertem, M. Z.; Lewandowska-Andralojc, A.; Sato, S.; Szalda, D. J.; Muckerman, J. T.; Fujita, E. Striking Differences in Properties of Geometric Isomers of [Ir(tpy)(ppy)H]+: Experimental and Computational Studies of their Hydricities, Interaction with CO2, and Photochemistry, Angew. Chem. Int. Ed. 2015, 54, 14128-14132. DOI:10.1002/anie.201506961
  • Meng, F.; Hu, E,; Zhang, L.; Sasaki, K.; Muckerman, J. T.; Fujita, E.Biomass-Derived High-Performance Tungsten-Based Electrocatalysts on Graphyne for Hydrogen Evolution, J. Mater. Chem. A, 2015, 3, 18572 – 18577. DOI:10.1039/c5ta05589
  • Matheu, R.; Ertem, M. Z.; Benet-Buchholz, J.; Coronado, E.; Batista, V. S.; Sala, X.; Llobet, A., Intramolecular proton transfer boosts water oxidation catalyzed by a Ru complex, J. Am. Chem. Soc. 2015, 137, 10786-11549. DOI:10.1021/jacs.5b06541.
  • Wang, W.-H.; Himeda, Y.; Muckerman, J. T.; Manbeck, G. F.; Fujita, E. CO2 Hydrogenation to Formate and Methanol as an Alternative to Photochemical CO2 Reduction, Chem. Rev. 2015, 115, 12936-12973. DOI:10.1021/acs.chemrev.5b00197
  • Matsubara, Y.; Grills, D. C.; Kuwahara, Y. Thermodynamic Aspects of Electrocatalytic CO2 Reduction Using an Ionic Liquid as Solvent or Electrolyte, ACS Catal., 2015, 5, 6440-6452. DOI: 10.1021/acscatal.5b00656
  • Wang, W.-H.; Ertem, M. Z.; Xu, S.; Onishi, N.; Manaka, Y.; Suna, Y.; Kambayashi, H.; Muckerman, J. T.; Fujita, E.; Himeda, Y. Highly Robust Hydrogen Generation by New Bioinspired Ir Complexes for dehydrogenation of Formic Acid in Water, ACS Catal. 2015, 5, 5496-5504. DOI:10.1021/acscatal.5b01090
  • Lewandowska-Andralojc, A; Baine, T.; Zhao, X.: Muckerman, J. T.; Fujita, E.; Polyansky, D.E. Mechanistic studies of hydrogen evolution in aqueous solution catalyzed by a tertpyridine-amine cobalt complex, Inorg. Chem. 2015, 54, 4310-4021. DOI:10.1021/ic5031137
  • Hsieh, Y.-C.; Senanayake, S. D.; Zhang, Y.; Xu W.; Polyansky, D. E. The effect of chloride anions on the formation and reactivity of nanoporous silver catalysts for CO2 electroreduction, ACS Catal. 2015, 5, 5349−5356. DOI: 10.1021/acscatal.5b01235
  • Ertem, M. Z.; Kharche, N.; Batista, V. S.; Hybertsen, M. S.; Tully, J. C.; Muckerman, J. T. "Photo-induced Water Oxidation at the Aqueous GaN clip Interface: Deprotonation Kinetics of the First Proton-Coupled Electron-Transfer Step," ACS Catal. 2015, 5, 2317-2323. DOI: 10.1021/acscatal.5b00054
  • Nguyen-Phan, T.-D.; Luo, S.; Liu, Z.; Pham, V. H.; Gamalski, A. D.; Xu, W.; Stach, E. A.; Dickersons, J. H.; Polyansky, D. E.; Senanayake, S. D.; Fujita, E.; Rodriguez, J. A. Striving towards noble-metal-free photo-catalytic splitting of water: The hydrogenated-graphene-TiO2 prototype, Chem. Mater., 2015, 27, 6282-6296. DOI:10.1021/acs.chemmater.5b02131
  • Kunwar, N.; Sharma, S.; Benjamin, S.; Polyansky, D. E., Artificial Photosynthesis. In Solar Energy Conversion and Storage. Photochemical Modes, Suresh C. Ameta; Ameta, R., Eds. CRC Press: Boca Raton, 2015; 187-218.
  • Musat, R. M.; Crowell, R. A.; Polyansky, D. E.; Thomas, M. F.; Wishart, J. F.; Katsumura, Y.; Takahashi, K.* Ultrafast transient absorption spectrum of the room temperature ionic liquid1-hexyl-3-methylimidazoliumbromide: Confounding effects of photo-degradation, Radiat. Phys. Chem. 2015, 117, 78–82.
  • Manbeck, G. F.; Fujita, E. A Review of Iron and Cobalt Porphyrins, Phthalocyanines, and Related Complexes for Electrochemical and Photochemical Reduction of Carbon Dioxide, J. Porphyrins Phthalocyanines 2015, 19, 45-64. DOI:10.1142/S1088424615300013
  • Fujita, E.; Goldman, A. S. Preface for Small-Molecule Activation: Carbon-containing Fuels, Inorg. Chem. 2015, 54, 5040-5042. DOI:10.1021/acs.inorgchem.5b00790
  • Onishi, N.; Xu, S.; Manaka, Y.; Suna, Y.; Wang, W.-H.; Muckerman, J.; Fujita, E.; Himeda, Y., CO2 Hydrogenation Catalyzed by Iridium Complexes with a Proton-responsive Ligand, Inorg. Chem. 2015, 54, 5114-5123. DOI:10.1021/ic502904q.
  • Manbeck, G. F.; Muckerman, J. T.; Szalda, D. J.; Himeda, Y.; Fujita, E. Push or Pull? Proton Responsive Ligand Effects in Rhenium Tricarbonyl CO2 Reduction Catalysts, J. Phys. Chem. B 2015, 119, 7457-7466, John R. Miller and Marshall D. Newton Festschrift. DOI:101021/jp511131x.
  • Luo, S.; Nguyen-Phan, T.-D.; Johnston-Peck, A.; Barrio, L.; Sallis, S.; Arena, D.; Kundu, S.; Xu, W.; Piper, L.; Stach, E.; Polyansky, D. E.; Fujita, E.; Rodriguez, J.; Senanayake, S. Hierarchical Heterogeneity at the CeOx -TiO2 Interface: Electronic and Geometric Structural Influence on the Photocatalytic Activity of Oxide on Oxide Nanostructures, J. Phys. Chem. C 2015, 119, 2669-2679. DOI:10.1021/jp511986n
  • Concepcion, J. J.; Zhong, D. K.; Szalda, D. J.; Muckerman, J.T.; Fujita, E. Mechanism of water oxidation by [Ru(bda)(L)2]: the return of the “blue dimer”, Chem. Commun. 2015, 51, 4105-4108. DOI:10.1039/C4CC07968J

2014

  • Polyansky, D. E. “Electrocatalysts for Carbon Dioxide Reduction” In Encyclopedia of Applied Electrochemistry; Kreysa G., Ota K., Savinell R., Eds.; Springer Science: New York, 2014; Vol. 1, p 431-436.
  • Grills, D. C.; Matsubara, Y.; Kuwahara, Y.; Golisz, S. R.; Kurtz, D. A.; Mello, B. A.  "Electrocatalytic CO2 Reduction with a Homogeneous Catalyst in Ionic Liquid: High Catalytic Activity at Low Overpotential" J. Phys. Chem. Lett. 2014, 5, 2033-2038. DOI:10.1021/jz500759x
  • Chen, W.-F.; Schneider, J. M.; Sasaki, S.; Wang, C.-H.; Schneider, S.; Iyer, S.; Iyer, S; Chu, Y.; Muckerman, J. T.; Fujita, E.  "Tungsten Carbide-Nitride on Graphene Nanoplatelets as a Durable Hydrogen Evolution Electrocatalyst" ChemSusChem 2014, 7, 2414-2418. DOI:10.1002/cssc.201402454
  • Bhattacharjee, A.; Chavaroy-Kerlidou, M.; Dempsey, J. L.; Gray, H. B.; Fujita, E.; Muckerman, J. T.; Fontecave, M.; Artero, V.; Arantes, G. M.; Field, M. T.  "Theoretical Modeling of Low Energy Electronic Transitions in Reduced Cobaloximes" ChemPhysChem 2014, 15, 2951-2958. DOI:10.1002/cphc.201402398.
  • Suna, Y.; Ertem, M. Z.; Wang, W.-H.; Kambayashi, H.; Manaka, Y.; Muckerman, J. T.; Fujita, E.; Himeda, Y. "Positional Effects of Hydroxy Groups on Catalytic Activity of Proton-Responsive Half-Sandwich Cp*Iridium(III) Complexes" Organometallics 2014, 33, 6519-6530.
  • Estes, D. P.; Grills, D. C.; Norton, J. R. "The Reaction of Cobaloximes with Hydrogen: Products and Thermodynamics" J. Am. Chem. Soc. 2014, 136, 17362-17365. DOI:10.1021/ja508200g
  • Kharche, N.; Muckerman, J. T.; Hybertsen, M. S. "First-Principles Approach for Aqueous Semiconductor Interfaces" Phys. Rev. Lett. 2014, 113, 176802. DOI:10.1103/PhysRevLett.113.176802
  • Polyansky, D. E.; Hurst, J. K.; Lymar, S. V.  "Application of Pulse Radiolysis to Mechanistic Investigation of Water Oxidation Catalysis" Eur. J. Inorg. Chem. 2014, 619-634. DOI:10.1002/ejic.201300753
  • Shkrob, I. A.; Marin, T. W.; Wishart, J. F.; Grills, D. C. "Radiation Stability of Cations in Ionic Liquids. 5. Task-Specific Ionic Liquids Consisting of Biocompatible Cations and the Puzzle of Radiation Hypersensitivity" J. Phys. Chem. B, 2014, 118, 10477-10492. DOI:10.1021/jp5049716
  • Muckerman, J. T.; Kowalczyk, M.; Badiei, Y. M.; Polyansky, D. E.; Concepcion, J. J.; Zong, R.; Thummel, R. P.; Fujita, E. "New Water Oxidation Chemistry of a Seven-Coordinate Ruthenium Complex with a Tetradentate Polypyridyl Ligand" Inorg. Chem. 2014, 53, 6904-6913. DOI:10.1021/ic500709h
  • Kharche, N.; Hybertsen, M. S.; Muckerman, J. T.  "Computational Investigation of Structural and Electronic Properties of Aqueous Interfaces of GaN, ZnO, and GaN/ZnO Alloy", Phys. Chem. Chem. Phys. 2014, 16, 12057-12066. DOI: 10.1039/c4cp00486h
  • Grills, D.C.; Farrington, J. A.; Layne, B. H.; Lymar, S. V.; Mello, B. A.; Preses, J. M.; Wishart, J. F. "Mechanism of the Formation of a Mn-Based CO2 Reduction Catalyst Revealed by Pulse Radiolysis with Time-Resolved Infrared Detection" J. Am. Chem. Soc. 2014, 136, 5563–5566, DOI:10.1021/ja501051s.
  • Wang, W.-H.;  Xu, S.;  Manaka, Y.; Suna, Y.; Kambayashi, H.; Muckerman, J. T.; Fujita, E.; Himeda, Y. "Formic Acid Dehydrogenation with Bioinspired Iridium Complexes: A Kinetic Isotope Effect Study and Mechanistic Insight " ChemSusChem 2014, 7, 1976-1983. DOI:10.1002/cssc.201301414
  • Lewandowska-Andralojc, A.; Grills, D. C.; Zhang, J.; Bullock, R. M.; Miyazawa, A.; Kawanishi, Y.; Fujita, E. “Kinetic and Mechanistic Studies of Carbon-to-Metal Hydrogen Atom Transfer Involving Os-Centered Radicals: Evidence for Tunneling”  J. Am. Chem. Soc. 2014, 136, 3572–3578, DOI:10.1021/ja4123076.
  • Lewandowska-Andralojc, A.; Polyansky, D. E.; Wang, C.-H.; Wang, W.-H.; Himeda, Y.; Fujita, E. "Efficient Water Oxidation with Organometallic Iridium Complexes as Precatalysts at Neutral pH" Phys. Chem. Chem. Phys. 2014, 16, 11976-11987. DOI: 10.1039/C3CP55101F.
  • Matsubara, Y.; Hightower, S. H.; Chen, J.; Grills, D. C.; Polyansky, D. E.; Muckerman, J. T.; Tanaka, K.; Fujita, E.  "Reactivity of a fac-ReCl(α-diimine)(CO)3 complex with an NAD+ model ligand toward CO2 reduction" Chem. Commun. 2014, 50, 728-730, DOI:10.1039/C3CC47699E.
  • Manaka, Y.; Wang, W.-H.; Suna, Y.; Kambayashi, H.; Muckerman, J. T.; Fujita. E.; Himeda, Y.  Efficient H2 generation from formic acid using azole complexes in water, Catal. Sci. Technol. 2014, 4, 34-37, DOI: 10.1039/c3cy00830d.
  • Wada, T.; Tanaka, K.; Muckerman, J. T.; Fujita, E. "Water Oxidation by Ruthenium Catalysts Having Non-innocent Ligands", in Molecular Water Oxidation Catalysis; Llobet, A., Ed.; Wiley: 2014, p 77-111. DOI:10.1002/9781118698648.ch5
  • Wang, W.-H.; Himeda, Y.; Muckerman, J. T.; Fujita, E. "Interconversion of CO2/H2 and formic acid under mild conditions in water: Ligand design for effective catalysis" Advances in Inorganic Chemistry, Vol. 66, CO2 Chemistry, Eds. Van Eldik, R.; Aresta, M. Burlington, Elsevier, 2014, 190-220. DOI:10.1016/B978-0-12-420221-4.00006-8

2013

  • Zamadar, M.; Asaoka, S.; Grills, D. C.; Miller, J. R. “Giant Infrared Absorption Bands of Electrons and Holes in Conjugated Molecules”  Nature Commun. 2013, 4:2818, http://dx.doi.org/10.1038/ncomms3818.
  • Lewandowska-Andralojc, A.; Polyansky, D. E. “Mechanism of the Quenching of the Tris(bipyridine)ruthenium(II) Emission by Persulfate: Implications for Photo-Induced Oxidation Reactions” J. Phys Chem. A 2013, 117, 10311–10319, DOI: 10.1021/jp407573d.
  • Kawanami, H.; Grills, D. C.; Ishizaka, T.; Chatterjee, M.; Suzuki, A. “Photocatalytic Reduction of CO2 under Supercritical CO2 Conditions: Effect of Pressure, Temperature, and Solvent on Catalytic Efficiency”, J. CO2 Util. 2013, 3-4, 93-97, http://dx.doi.org/10.1016/j.jcou.2013.07.008.
  • Badiei, Y. M.; Wang, W.-H.; Hull. J. F.; Szalda, D. J.; Muckerman, J. T.; Himeda. Y.; Fujita, E. "Cp*Co(III) Catalysts with Proton-Responsive Ligands for Carbon Dioxide Hydrogenation in Aqueous Media", Inorg. Chem. 2013, 52, 8845-8850, DOI: 10.1021/ic401023w.
  • Chen, W.-F.; Muckerman, J. T.; Fujita, E. "Recent Developments in Transition Metal Carbides and Nitrides as Hydrogen Evolution Electrocatalysts", Chem. Commun. 2013, 49, 8896-8909, 10.1039/C3CC44076A.
  • Zhong, D. K.; Zhao, S.; Polyansky, D. E.; Fujita, E.  “Photoisomerization of Active Ruthenium Water Oxidation Catalyst Inhibited by Immobilization onto Metal Oxide Electrodes”, J. Catal. 2013, 307, 140–147, 10.1016/j.jcat.2013.07.018.
  • Johnston-Peck, A. C.; Senanayake, S. D.; Plata, J. J.; Kundu, S.; Xu, W.; Barrio, L.; Graciani, J.; Fdez. Sanz, J.; Navarro, R. M.; Fierro, J. L. G.; Stach, E. A.; Rodriguez, J. A. “Nature of the Mixed-Oxide Interface in Ceria–Titania Catalysts: Clusters, Chains, and Nanoparticles” J. Phys. Chem. C., 2013, 117, 14463-14471, DOI: 10.1021/jp3125268.
  • Kundu, S.; Vidal, A.; Nadeem, A.; Senanayake, S.; Idriss, H.; Liu, P.; Rodriguez, J. A.; Stacchiola, D. “Ethanol Photo Reaction on RuOx/Ru Modified TiO2(110)” J. Phys. Chem. C. 2013, 117, 11149-11158, DOI: 10.1021/jp4015367.
  • Schneider J.; Fujita, E. “Carbon Dioxide Capture and Activation,” in Comprehensive Inorganic Chemistry II, Vol. 8, Eds. Poeppelmeier K.; Reedijk, J. Elsevier, Oxford, England, 2013, pp 475-504.
  • Wang, L.; Kang, W.; Hybertsen, M.; Maeda, K.; Domen, K.; Khalifah, P. “Design of Medium Band Gap Ag-Bi-Nb-O and Ag-Bi-Ta-O Semiconductors for Driving Direct Water Splitting with Visible Light”, Inorg. Chem. 2013, 52, 9192–9205, DOI: 10.1021/ic400089s.
  • Chen, W.-F.; Wang, C.-H.; Sasaki, K.; Marinkovic, N.; Xu, W.; Muckerman, J. T.; Zhu, Y.; Adzic, R. R. "Highly Active and Durable Nanostructured Molybdenum Carbide Electrocatalysts for Hydrogen Production," Energy Environ. Sci. 2013, 6, 943-951, DOI: 10.1039/C2EE23891H.
  • Doherty, M. D.; Grills, D. C.; Huang, K.-W.; Muckerman, J. T.; Polyansky, D.; Fujita, E. “Kinetics and Thermodynamics of Small Molecule Binding to Pincer-PCP Rhodium(I) Complexes,” Inorg. Chem. 2013, 52, 4160-4172, DOI: 10.1021/ic300672g.
  • Zhao, H. C.; Mello, M.; Fu, B.-L.; Chowdury, H.; Szalda, D. J.; Tsai, M.-K.; Grills, D. C.; Rochford, J. “Investigation of Monomeric versus Dimeric fac-Rhenium(I) Tricarbonyl Systems Containing the Noninnocent 8-Oxyquinolate Ligand”, Organometallics 2013, 32, 1832-1841, DOI: 10.1021/om301250v.
  • Wang, W.-H.; Muckerman, J. T.; Fujita, E.; Himeda, Y. "Mechanistic Insight through Factors Controlling Effective Hydrogenation of CO2 Catalyzed by Bio-Inspired Proton-Responsive Iridium(III) Complexes", ACS Catal. 2013, 3, 856-860, DOI: 10.1021/cs400172j.
  • Chen, W. –F.; Iyer, S.; Iyer, S.; Sasaki, K., Wang, C. -H.;  Zhu, Y.; Muckerman, J. T.; Fujita, E.  “Biomass-derived Electrocatalytic Composites for Hydrogen Evolution”, Energy Environ. Sci. 2013, 6, 1818-1826, DOI: 10.1039/C3EE40596F.
  • Wang, W.-H.; Hull, J. F.; Muckerman, J. T.; Fujita, E.; Himeda, Y. “Hydroxy-substituted aromatic N-heterocycles: Versatile ligands in organometallic catalysis” New J. Chem. 2013, 37, 1860-1866, DOI: 10.1039/c3nj41146j.
  • Appel, A. M.; Bocarsly, A. B.; Bercaw, J. E.; Dobbek, H.; Dupuis, M.; DuBois, D. L.; Ferry, J. G.; Fujita, E.; Hille, R.; Kenis, P. J. A.; Kerfeld, C. A.; Morris, R. H.; Peden, C.; Portis, A.; Ragsdale, S.; Rauchfuss, T. B.; Reek, J. N. H.; Seefeldt, L. C.; Spitler, M.; Stack,R. J.; Thauer, R. K.; Waldrop, G. L. “Frontiers, Opportunities, and Challenges in Biochemical and Chemical Catalysis of CO2”, Chem. Rev. 2013, 113, 6621-6658, DOI:10.1021/cr300463y.
  • Muckerman, J. T.; Skone, J. H.; Ning, M.; Wasada-Tsutsui, Y. "Toward the Accurate Calculation of pKa Values in Water and Acetonitrile," Biochim. Biophys. Acta - Bioenergetics 2013, 1827, 882-891, DOI:10.1016/j.bbabio.2012.11.004.
  • Fujita, E.; Muckerman, J. T.; Himeda, Y. “Interconversion of CO2 and Formic Acid by Bio-Inspired Ir Complexes with Pendent Bases,” Biochim. Biophys. Acta - Bioenergetics 2013, 1827, 1031-1038, DOI:10.1016/j.bbabio.2012.11.004.
  • Hayashi, Y.; Szalda, D. J.; Grills, D. C.; Hanson, J.; Huang, K. -W.; Muckerman, J. T.; Fujita, E. “Isolation and X-ray Structures of Four Rh(PCP) Complexes Including a Rh(I) Dioxygen Complex with a Short O–O Bond,” Polyhedron (Michelle Millar Special Issue) 2013, 58, 106-114, DOI:10.1016/j.poly.2012.10.006.
  • Lewandowska-Andralojc, A.; Polyansky, D. E.;  Zong, R.;  Thummel, R. P.;  Fujita, E. Enabling Light-Driven Water Oxidation via a Low Energy RuIV=O Intermediate, PCCP 2013, 15, 14058-14068, DOI: 10.1039/C3CP52038B.
  • Wang, W.-H.; Suna, Y.; Himeda, Y.; Muckerman, J. T.; Fujita, E. “Functionalized Cyclopentadienyl Rhodium(III) Bipyridine Complexes: Synthesis, Characterization, and Catalytic Application in Hydrogenation of Ketones”, Dalton Trans. 2013, 42, 9628-9636, DOI: 10.1039/c3dt50445j.
  • Akimov, A. V.; Muckerman, J. T.; Prezhdo, O. V. “Non-adiabatic Dynamics of Positive Charge during Photocatalytic Water Splitting on GaN(10-10) Surface: Charge Localization Governs Splitting Efficiency”, J. Am. Chem. Soc. 2013, 135, 8682-8691, DOI: 10.1021/ja4029395.
  • Badiei, Y. M.; Polyansky, D. E.; Muckerman, J. T.; Szalda, D. J.; Haberdar, R.;  Zong, R.; Thummel, R. P.; Fujita, E. "Water Oxidation with Mononuclear Ruthenium (II) Polypyridine Complexes Involving a Direct RuIV=O Pathway in Neutral and Alkaline Media", Inorg. Chem. 2013,  52, 8845–8850, DOI: 10.1021/ic401023w.
  • Reinert, A. A.; Payne, C.; Wang, L.; Ciston, J.; Zhu, Y.; Khalifah, P. “Synthesis and Characterization of Visible Light Absorbing (GaN)1-x(ZnO)x Semiconductor Nanorods”, Inorg. Chem. 2013, 52, 8389-8398, DOI: 10.1021/ic400011n.

2012

  • Schneider, J.; Jia, H.;  Kobiro, K.; Cabelli, D.; Muckerman, J. T.; Fujita, E. “Nickel(II) Macrocycles: Highly Efficient Electrocatalysts for the Selective Reduction of CO2 to CO,” Energy Environ. Sci. 2012, 5, 9502-9510, DOI: 10.1039/c2ee22528j.
  • Matsubara, Y.; Fujita, E.; Doherty, M. D.; Muckerman, J. T.; Creutz, C. “Thermodynamic and Kinetic Hydricity of Ruthenium(II) Hydride Complexes,” J. Am. Chem. Soc. 2012, 134, 15743-15757, DOI:10.1021/ja302937q.
  • Zidki, T.; Zhang, L.; Shafirovich,V.; Lymar, S. V. “Water Oxidation Catalyzed by Cobalt(II) Adsorbed on Silica Nanoparticles” J. Am. Chem. Soc. 2012, 134, 14275-14278, DOI: 10.1021/ja304030y.
  • Kundu, S.; Ciston, J.; Senanayake, S. D.; Arena, D.; Fujita, E.; Stacchiola, D.; Rodriguez, J. A. “Exploring the Structural and Electronic Properties of Pt/Ceria-Modified TiO2 and its Photo-Catalytic Activity for Water Splitting under Visible Light,” J. Phys. Chem. C 2012, 116, 14062-14070, DOI: 10.1021/jp304475x.
  • Kundu, S.; Vidal, A.B.; Yang, F.; Ramírez, P.J.; Senanayake, S.D.; Stacchiola, D.;  Evans, J.; Liu, P.; Rodriguez, J.A. “Special Chemical Properties of RuOx Nanowires in RuOx/TiO2(110): Dissociation of Water and Hydrogen Production,” J. Phys. Chem. C 2012, 116, 4767–4773, DOI: 10.1021/jp2117054.
  • Muckerman, J. T.; Achord, P.; Creutz, C. A.; Polyansky, D. E.; Fujita, E. “Calculation of Thermodynamic Hydricities and the Design of Hydride Donors for CO2 Reduction,” Proc. Nat. Acad. Sci. USA 2012, 109, 15657-15662, DOI: 10.1073/pnas.1201026109.
  • Lacina, D.; Yang, L.; Chopra, I.; Muckerman, J. T.; Chabal, Y.; Graetz, J. "Investigation of LiAlH4–THF formation by direct hydrogenation of catalyzed Al and LiH," Phys. Chem. Chem. Phys. 2012, 14, 6569-6576, DOI: 10.1039/C2CP40493A.
  • Malingowski, A. C.; Stephens, P. W.; Huq, A.; Huang, Q.; Khalid, S.; Khalifah, P. G. “Substitutional Mechanism of Ni into the Wide Band Gap Semiconductor InTaO4 and its Implications for Water Splitting Activity in the Wolframite Structure Type,” Inorg. Chem. 2012, 51, 6096–6103, DOI: 10.1021/ic202715c.
  • Chen, W.-F.; Sasaki, K.; Ma, C.; Frenkel, A. I.; Marinkovic, N.; Muckerman, J. T.; Zhu, Y.; Adzic, R. R. “Hydrogen-Evolution Catalysts Based on Non-Noble Metal NiMo Nitride Nanosheets,” Angew. Chem. Int. Ed. 2012, 51, 6131-6135, DOI: 10.1002/anie.201200699.
  • Wang, W.-H.; Hull, J. F.; Muckerman, J. T.; Fujita, E.; Himeda, Y. “Second-coordination-sphere and electronic effects enhance iridium(III)-catalyzed homogeneous hydrogenation of carbon dioxide in water near ambient temperature and pressure,” Energy Environ. Sci. 2012, 5, 7923-7926, DOI: 10.1039/C2EE21888G.
  • Wang, W.-H.; Hull, J. F.; Muckerman, J. T.; Fujita, E.; Hirose, T.; Himeda, Y.  “Highly Efficient D2 Generation by Dehydrogenation of Formic Acid in D2O via H+/D+ Exchange on Iridium Catalyst. Application to Synthesis of Deuterated Compounds by Transfer Deuterogenation,” Chem. Eur. J. 2012, 18, 9397-9404, DOI: 10.1002/chem.201200576.
  • Agarwal, J.; Sanders, B. C.; Fujita, E.; Schaefer III, H. F.; Harrop, T. C.; Muckerman, J. T. “Exploring the Intermediates of Photochemical CO2 Reduction: Reaction of Re(dmb)(CO)3COOH with CO2,” Chem. Commun. 2012, 48, 6797-6799, DOI: 10.1039/c2cc32288a.
  • Al-Mahboob, A.; Muller, E.; Karim, A.; Muckerman, J. T.; Ciobanu, C. V.; Sutter, P. "Site-Dependent Activity of Atomic Ti Catalysts in Al-Based Hydrogen Storage Materials," J. Am. Chem. Soc. 2012, 134, 10381-10384, DOI: 10.1021/ja304203y.
  • Agarwal, J.; Fujita, E.; Schaefer, H. F. III; Muckerman, J. T. “Mechanisms for CO Production from CO2 Using Reduced Rhenium Tricarbonyl Catalysts,” J. Am. Chem. Soc. 2012, 134, 5180-5186, DOI: 10.1021/ja2105834.
  • Hull, J. F.; Himeda, Y.; Wang, W.-H.; Hashiguchi, B.; Periana, R.; Szalda, D. J.; Muckerman, J. T.; Fujita, E. “Reversible Hydrogen Storage using CO2 and a Proton-Switchable Iridium Catalyst in Aqueous Media under Mild Temperatures and Pressures,” Nature Chemistry 2012, 4, 383-388, DOI: 10.1038/NCHEM.1295.
  • Schneider, J.; Jia, H.; Muckerman, J. T.; Fujita, E. “Thermodynamics and Kinetics of CO2, CO and H+ Binding to a Metal Centre of CO2 Reduction Catalysts,” Chem. Soc. Rev. 2012, 41, 2036-2051, DOI: 10.1039/c1cs15278e.
  • Cohen, B.. W.; Polyansky, D. E.; Achord, A.; Cabelli, D.; Muckerman, J. T.; Tanaka, K.; Thummel, R. P.; Zong, R.; Fujita, E. “Steric Effect for Proton, Hydrogen-Atom, and Hydride Transfer Reactions with Geometric Isomers of NADH-Model Ruthenium Complexes,” Faraday Discuss. 2012, 155, 129-144, DOI: 10.1039/c1fd00094b.

2011

  • Muckerman, J. T.; Fujita, E. “Theoretical Studies of the Mechanism of Catalytic Hydrogen Production by a Cobaloxime,” Chem. Commun. 2011, 47, 12456-12458, DOI: 10.1039/c1cc15330g.
  • Boyer, J. L.; Polyansky, D. E.; Szalda, D. J.; Zong, R.; Thummel, R. P.; Fujita, E. “Effects of a Proximal Base on Water Oxidation and Proton Reduction Catalyzed by Geometric Isomers of [Ru(tpy)(pynap)(OH2)]2+,” Angew. Chem. Int. Ed. 2011, 50, 12600-12604, DOI: 10.1002/anie.201102648.
  • Yang, F.; Kundu, S.; Vidal, A.B.; Graciani, J.; Ramírez, P.J.; Senanayake, S.D.; Stacchiola, D.;  Evans, J.; Liu, P.; Fdez Sanz, J.; Rodriguez, J.A. “Determining the Behaviour of RuOx Nanoparticles in Mixed-Metal Oxides: Structural and Catalytic Properties of RuO2/TiO2(110) Surfaces,” Angew. Chem. Int. Ed. 2011, 50, 10198-10202, DOI:10.1002/anie.201103798.
  • Polyansky, D. E.; Muckerman, J. T.; Rochford, J.; Zong, R.; Thummel. R. P.; Fujita, E. “Water Oxidation by a Mononuclear Ruthenium Catalyst: Characterization of the Intermediates,” J. Am. Chem. Soc. 2011, 133, 14649-14665, DOI: 10.1021/ja203249e.
  • Li, L.; Muckerman, J. T.; Hybertsen, M. S.; Allen, P. B. “Phase Diagram, Structure and Electronic Properties of (Ga1-xZnx)(N1-xOx) Solid Solution from DFT-Based Simulations,” Phys. Rev. B 2011, 83, 134202, DOI: 10.1103/PhysRevB.83.134202.
  • Small, Y. A.; DuBois, D. L.; Fujita, E.; Muckerman, J. T. “Proton Management as a Design Principle for Hydrogenase-Inspired Catalysts,” Energy Environ. Sci. 2011, 4, 3008-3020, DOI: 10.1039/c1ee01170g.
  • Wada, T.;  Muckerman, J. T.; Fujita, E.; Tanaka, K. “Substituents Dependent Capability of Bis(ruthenium-dioxolene-terpyridine) Complexes Toward Water Oxidation,” Dalton Trans. 2011, 40, 2225-2233, DOI: 10.1039/c0dt00977f.
  • Fujita, E.; Muckerman, J. T.; Domen, K. “A Current Perspective on Photocatalysis (Editorial),” ChemSusChem. 2011, 4, 155-157, DOI: 10.1002/cssc.201100040.

2010

  • Creutz, C.; Chou, M. H.; Hou, H.; Muckerman, J. T. “Hydride Ion Transfer from Ruthenium(II) Complexes in Water: Kinetics and Mechanism,” Inorg. Chem. 2010, 49, 9809-9822, DOI: 10.1021/ic101124q.
  • Chen, J.; Szalda, D. J.; Fujita, E.; Creutz, C. “Iron(II) and Ruthenium(II) Complexes Containing P, N, and H Ligands: Structure, Spectroscopy, Electrochemistry and Reactivity,” Inorg. Chem. 2010, 49, 9380-9391, DOI: 10.1021/ic101077t.
  • Shen, X.; Small, Y, A. Wang, J.; Allen, P. B.; Fernandez-Serra, M. V.; Hybertsen, M. S.; Muckerman, J. T.  “Photocatalytic Water Oxidation at the GaN (1010) – Water Interface,” J. Phys. Chem. C 2010, 114, 13695-13704, DOI: 10.1021/jp102958s.
  • Cohen, B. W.; Polyansky, D. E.; Zong, R.; Zhou, H.; Ouk, T.; Cabelli, D.; Thummel, R. P.; Fujita, E. “Differences of pH-Dependent Mechanisms on Generation of Hydride Donors using Ru(II) Complexes Containing Geometric Isomers of NAD+ Model Ligands: NMR and Radiolysis Studies in Aqueous Solution,” Inorg. Chem. 2010, 49, 8034-8044, DOI: 10.1021/ic101098v.
  • Grills, D. C; Fujita, E. “New Directions for the Photocatalytic Reduction of CO2: Supramolecular, scCO2 or Biphasic Ionic Liquid-scCO2 Systems,” J. Phys. Chem. Lett. 2010, 1, 2709-2718, DOI: 10.1021/jz1010237.
  • Doherty, M. D.; Grills, D. C.; Muckerman, J. T.; Polyansky, D. E.; Fujita, E. “Toward More Efficient Photochemical CO2 Reduction: Use of scCO2 or Photogenerated Hydrides,”  Coord. Chem. Rev. 2010, 254, 2472-2482, DOI: 10.1016/j.ccr.2009.12.013.
  • Concepcion, J. J.; Tsai, M.-K.; Muckerman, J. T.; Meyer, T. J.  “Mechanism of Water Oxidation by Single-Site Ruthenium Complex Catalysts,” J. Am. Chem. Soc. 2010, 132, 1545-1557, DOI: 10.1021/ja904906v.
  • Chen, H.; Wang, L.; Bai, J.; Hanson, J. C.; Warren, J. B.; Muckerman, J. T.; Fujita, E.;  Rodriguez, J. A. “In Situ XRD Studies of ZnO/GaN Mixtures at High Pressure and High Temperature: Synthesis of Zn-Rich (Ga1-xZnx)(N1-xOx) Photocatalysts,” J. Phys. Chem. C 2010, 114, 1809-1814, DOI: 10.1021/jp909649n.
  • Rochford, J.; Tsai, M.-K.; Szalda, D. J.; Boyer, J. L.; Muckerman, J. T.; Fujita, E., “Oxidation State Characterization of Ruthenium 2-Iminoquinone Complexes through Experimental and Theoretical Studies,” Inorg. Chem. 2010, 49, 860-869, DOI: 10.1021/ic901194k.
  • Grills, D.C.; Cook. A. R.; Fujita, E.; George, M. W.; Miller, J. R.; Preses, J. M.; Wishart, J. F. “Application of External-Cavity Quantum Cascade Infrared Lasers to Nanosecond Time-Resolved Infrared Spectroscopy of Condensed-Phase Samples Following Pulse Radiolysis,” Appl. Spec. 2010, 64, 563-570 (cover article), https://www.s-a-s.org/journal/viewer/abstract/10166.
  • Boyer, J. L.; Rochford, J.; Tsai, M.-K.; Muckerman, J. T.; Fujita, E., “Ruthenium Complexes with Non-innocent Ligands: Electron Distribution and Implications for Catalysis,” Coord. Chem. Rev. 2010, 254, 309-330, DOI: 10.1016/j.ccr.2009.09.006.

2009

  • Muckerman, J. T.; Fujita, E. “Artificial Photosynthesis” in Chemical Evolution II: From Origins of Life to Modern Society. ACS Symposium Series; Chapter 15, pp 283-312, Zaikowski, L.; Friedrich, J. M., Eds.; American Chemical Society: Washington, D.C., 2009.
  • Morris, A. J.; Meyer, G. J.; Fujita, E., “Molecular Approaches to the Photocatalytic Reduction of Carbon Dioxide for Solar Fuels,” Acc. Chem. Res. 2009, 42, 1983-1994.
  • Fukushima, T.; Fujita, E.; Muckerman, J. T.; Polyansky, D. E.; Wada, T.; Tanaka, K., “Photochemical Stereospecific Hydrogenation of a Ru Complex with an NAD+/NADH-Type Ligand,” Inorg. Chem. 2009, 48, 11510-11512.
  • Achord, P.; Fujita, E.; Muckerman, J. T.; Scott, B.; Fortman, G. C.; Temprado, M.; Xiaochen, C.; Captain, B.; Isrow, D.; Weir, J. J.; McDonough, J. E.; Hoff, C. D. “Experimental and Computational Studies of Binding of Dinitrogen, Nitriles, Azides, Diazoalkanes, Pyridines and Pyrazines to M(PR3)2(CO)3 (M = Mo, W; R = Me, iPr),” Inorg. Chem. 2009, 48, 7891-7904.
  • Tsai, M.-K.; Rochford, J.; Polyansky, D. E.; Wada, T.; Tanaka, K.; Fujita, E.; Muckerman, J. T. “Characterization of Redox States of Ru(OH2)(Q)(tpy)2+ (Q = 3,5-di-tert-butyl-1,2-benzoquinone, tpy = 2,2':6',2''-terpyridine) and Related Species through Experimental and Theoretical Studies,” Inorg. Chem. 2009, 48, 4372-4383.
  • Doherty, M. D.; Grills, D. C.; Fujita, E. “Synthesis of Fluorinated ReCl(4,4′-R2-2,2′-bipyridine)(CO)3 Complexes and Their Photophysical Characterization in CH3CN and Supercritical CO2,” Inorg. Chem. 2009, 48, 1796-1798.
  • Petroski, J.; Chou, M. H.; Creutz, C. “The Coordination Chemistry of Gold Surfaces: Formation and Far-Infrared Spectra of Alkanethiolate-Capped Gold Nanoparticles,” J. Organomet. Chem. 2009, 694, 1138-1143.
  • Creutz, C.; Chou, M. H. “Hydricities of d6 Metal Hydride Complexes in Water” J. Am. Chem. Soc. 2009, 113, 3650-3659.
  • Shen, X.; Allen, P. B.; Hybertsen, M. S.; Muckerman, J. T. “Water Adsorption on the GaN (10EQ \O(1,¯)0) Non-polar Surface,” J. Phys. Chem. C 2009, 113, 3365-3368.
  • Chen, H.; Wen, W.; Wang, Q.; Hanson, J. C.; Muckerman, J. T.; Fujita, E.; Frenkel, A.; Rodriguez, J. A. “Preparation of (Ga1-xZnx)(N1-xOx) Photocatalysts from the Reaction of NH3 with Ga2O3/ZnO and ZnGa2O4: In situ Time-Resolved XRD and XAFS Studies,” J. Phys. Chem. C 2009, 113, 3650-3659.

2008

  • Chaudhuri, S.; Rangan, S.; Veyan, J. F.; Muckerman, J. T.; Chabal, Y. J. "Formation and bonding of alane clusters on Al(111) surfaces studied by infrared absorption spectroscopy and theoretical modeling," J. Am. Chem. Soc. 2008, 130, 10576-10587.
  • Polyansky, D. E.; Cabelli, D.; Muckerman, J. T.; Fukushima, T.; Tanaka, K.; Fujita, E. “Mechanism of Hydride Donor Generation Using a Ru(II) Complex Containing an NAD+ Model Ligand: Pulse and Steady-State Radiolysis Studies,” Inorg. Chem. 2008, 47, 3958-3968 (cover article).
  • Creutz, C.; Chou, M. H., “Binding of Catechols to Mononuclear Titanium(IV) and to 1- and 5-nm TiO2 Nanoparticles,” Inorg. Chem. 2008, 47, 3509-3514.
  • Fujita, E.; Muckerman, J. T. “Catalytic Reactions Using Transition-Metal-Complexes Toward Solar Fuel Generation,” (Invited Review Article) Bull. Jpn. Soc. Coord. Chem. 2008, 51, 41-54.
  • Huang, K.-W.; Grills, D. C.; Han, J. H.; Szalda, D. J.; Fujita, E. “Selective Decarbonylation by a Pincer PCP-Rhodium(I) Complex,” Inorg. Chim. Acta 2008, 361, 3327-3331.
  • Muckerman, J. T.; Polyansky, D. E.; Wada, T.; Tanaka, K.; Fujita, E. “Water Oxidation by a Ruthenium Complex with Non-Innocent Quinone Ligands: Possible Formation of an O–O Bond at a Low Oxidation State of the Metal. Forum ‘on Making Oxygen,” Inorg. Chem. 2008, 47, 1787-1802.
  • Cheng, T. Y.; Szalda, D. J.; Hanson, J. C.; Muckerman, J. T.; Bullock, R. M. "Four-electron-donor hemilabile eta3-PPh3 ligand that binds through a C = C bond rather than an agostic C-H interaction, and displacement of the C = C by methyl iodide or water," Organometallics 2008, 27, 3785-3795.

2007

  • Creutz, C.; Chou, M. H. "Rapid Transfer of Hydride Ion from a Ruthenium Complex to C1 Species in Water," J. Am Chem. Soc. 2007, 129, 10108 – 10109.
  • Rimmer, R. D.; Grills, D. C.; Fan, H.; Ford, P. C.; Caulton, K. G. “Metal-Dependent Reactivity Differences for Transients Formed by Flash Photolysis of (PNP)M(CO), M = Co and Rh” J. Am. Chem. Soc. 2007, 129, 15430-15431, http://dx.doi.org/10.1021/ja076357l.
  • Wilson, A. D.; Shoemaker, R. K.; Miedaner, A.; Muckerman, J. T.; DuBois, D. L.; DuBois, M. R. "Nature of hydrogen interactions with Ni(II) complexes containing cyclic phosphine ligands with pendant nitrogen bases," Proc. Nat. Acad. Sci. USA 2007, 104, 6951-6956.
  • Miyasato, Y.; Wada, T.; Muckerman, J. T.; Fujita, E.; Tanaka, K. “Generation of Ru(II)-Semiquinone-Anilino Radical through Deprotonation of Ru(III)-Semiquinone-Anilido Complex,” Angew. Chem. Int. Ed. 2007, 46, 5728-5730.
  • Muckerman, J. T.; Fujita, E.; Hoff, C. D.; Kubas, G. J. “Theoretical Investigation of the Binding of Small Molecules and the Intramolecular Agostic Interaction at Tungsten Centers with Carbonyl and Phosphine Ligands,” J. Phys. Chem. B, 2007, 111, 6815-6821.
  • Creutz, C. “Nonadiabatic, Intramolecular Electron Transfer from Ruthenium(II) to Cobalt(III) Complexes,” J. Phys. Chem. B 2007, 111, 6713-6717.
  • Polyansky, D. E.; Cabelli, D.; Muckerman, J. T.; Fujita, E.; Koizumi, T.; Fukushima, T.; Wada, T.; Tanaka, K. ” Photochemical and Radiolytic Production of Organic Hydride Donor with Ru(II) Complex Containing an NAD+ Model Ligand,” Angew. Chem. Int. Ed. 2007, 46, 4169-4172.
  • Chen, H.; Nambu, A.; Wen, W.; Graciani, J.; Zhong, Z.; Hanson, J. C.; Fujita, E.; Rodríguez, J. A. “Reaction of NH3 with Titania: N-doping of the Oxide and TiN formation.”  J. Phys. Chem. B 2007, 111, 1366-1372.
  • Chaudhuri, S.; Muckerman, J. T. "Catalytic activity of Ti-doped NaH nanoclusters towards hydrogenation of terminal alkenes," Molec. Simulation 2007, 33, 919-924.
  • Huang, K.-W.; Han, J. H.; Musgrave, C. B.; Fujita, E. “Carbon Dioxide Reduction by Pincer Rhodium η2-Dihydrogen Complexes: Hydrogen Binding Modes and Mechanistic Studies by Density Functional Theory Calculations.” Organometallics 2007, 26, 508-513.
  • Shinozaki, K; Hayashi, Y; Brunschwig, B. S.; Fujita, E. “Characterization of transient species and products in photochemical reactions of Re(dmb)(CO)3 Et with and without CO2,”  Res. Chem. Intermed. 2007, 33, 27-36.

2006

  • Grills, D. C.; van Eldik, R.; Muckerman, J. T.; Fujita, E. “Direct Measurements of Rate Constants and Activation Volumes for the Binding of H2, D2, N2, C2H4 and CH3CN to W(CO)3(PCy3)2: Theoretical and Experimental Studies with Time-Resolved Step-Scan FTIR and UV-vis Spectroscopy.” J. Am. Chem. Soc. 2006, 128, 15728-15741.
  • Chaudhuri, S.; Graetz, J.; Ignatov, A.; Reilly, J. J.; Muckerman, J. T. "Understanding the role of Ti in reversible hydrogen storage as sodium alanate: A combined experimental and density functional theoretical approach," J. Am. Chem. Soc. 2006, 128, 11404-11415.
  • Creutz, C.; "Interfacial charge transfer absorption: 3. Application to semiconductor-molecule assemblies," Brunschwig, B. S.; Sutin, N. J. Phys. Chem. B 2006, 110, 25181-25190.
  • Nambu, A.; Graciani, J.; Rodriguez, J. A.: Wu, Q.; Fujita, E.; Fernandez-Sanz, J. “N-doping of TiO2(110): Photoemission and Density Functional Studies,” J. Chem. Phys. 2006, 125, 094706.
  • Creutz, C.; Ford, P. C.; Meyer, T. J. "Henry Taube: Inorganic Chemist Extraordinaire," Inorg. Chem. 2006, 45,  7059 – 7068.
  • Grills, D. C.; Huang, K.-W.; Muckerman, J. T.; Fujita, E. “Kinetic Studies of the Photoinduced Formation of Transition Metal-Dinitrogen Complexes Using Time-Resolved Infrared and UV-vis Spectroscopy.” Coord. Chem. Rev. 2006, 250, 1681-1695.
  • Fujita, E.; Brunschwig,B. S.; Creutz, C.; Muckerman, J. T.; Sutin, N.; Szalda, D. J.; van Eldik, R. “Transition State Characterization for the Reversible Binding of Dihydrogen to Bis(2,2'-bipyridine)rhodium(I) from Temperature- and Pressure-Dependent Experimental and Theoretical Studies.” Inorg. Chem. 2006, 45, 1595 - 1603.
  • Creutz, C.; Brunschwig, B. S.; Sutin, N. "Interfacial charge transfer absorption: Application to metal-molecule assemblies," Chem. Phys. 2006, 324, 244-258.
  • Wilson, A. D.; Newell, R. H.; McNevin, M. J.; Muckerman, J. T.; DuBois, M. R.; DuBois, D. L. "Hydrogen oxidation and production using nickel-based molecular catalysts with positioned proton relays," J. Am. Chem. Soc. 2006, 128, 358-366.
  • Graetz, J.; Chaudhuri, S.; Lee, Y.; Vogt, T.; Muckerman, J. T.; Reilly, J. J. "Pressure-induced structural and electronic changes in alpha-AlH3," Phys. Rev. B 2006, 74.

About the AP Group

We pursue the goal of advancing fundamental knowledge of processes leading to efficient conversion of sunlight to viable chemical fuels. We design and study chemical systems whose reactivity is inspired by natural photosynthesis, in which green plants convert sunlight, water and carbon dioxide into oxygen and carbohydrates.