| Dynamic formation of single-atom catalytic active sites on ceria-supported gold nanoparticles YG Wang, D Mei, VA Glezakou, J Li, R Rousseau Nature communications 6 (1), 6511, 2015 | 535 | 2015 |
| Water-Lean Solvents for Post-Combustion CO2 Capture: Fundamentals, Uncertainties, Opportunities, and Outlook DJ Heldebrant, PK Koech, VA Glezakou, R Rousseau, D Malhotra, ... Chemical reviews 117 (14), 9594-9624, 2017 | 430 | 2017 |
| Electrocatalytic hydrogenation of biomass-derived organics: a review SA Akhade, N Singh, OY Gutiérrez, J Lopez-Ruiz, H Wang, JD Holladay, ... Chemical reviews 120 (20), 11370-11419, 2020 | 393 | 2020 |
| The Role of Reducible Oxide–Metal Cluster Charge Transfer in Catalytic Processes: New Insights on the Catalytic Mechanism of CO Oxidation on Au/TiO2 from ab … YG Wang, Y Yoon, VA Glezakou, J Li, R Rousseau Journal of the American Chemical Society 135 (29), 10673-10683, 2013 | 368 | 2013 |
| Water reactivity in the liquid and supercritical CO2 phase: Has half the story been neglected? BP McGrail, HT Schaef, VA Glezakou, LX Dang, AT Owen Energy Procedia 1 (1), 3415-3419, 2009 | 234 | 2009 |
| Ethanol synthesis from syngas over Rh-based/SiO2 catalysts: A combined experimental and theoretical modeling study D Mei, R Rousseau, SM Kathmann, VA Glezakou, MH Engelhard, ... Journal of Catalysis 271 (2), 325-342, 2010 | 233 | 2010 |
| CO Oxidation on Au/TiO2: Condition-Dependent Active Sites and Mechanistic Pathways YG Wang, DC Cantu, MS Lee, J Li, VA Glezakou, R Rousseau Journal of the American Chemical Society 138 (33), 10467-10476, 2016 | 210 | 2016 |
| Genesis and stability of hydronium ions in zeolite channels M Wang, NR Jaegers, MS Lee, C Wan, JZ Hu, H Shi, D Mei, SD Burton, ... Journal of the American Chemical Society 141 (8), 3444-3455, 2019 | 188 | 2019 |
| Confinement effects and acid strength in zeolites E Grifoni, GM Piccini, JA Lercher, VA Glezakou, R Rousseau, M Parrinello Nature communications 12 (1), 2630, 2021 | 178 | 2021 |
| Theoretical insights into the surface physics and chemistry of redox-active oxides R Rousseau, VA Glezakou, A Selloni Nature Reviews Materials 5 (6), 460-475, 2020 | 158 | 2020 |
| Molecular Simulation Analysis and X-ray Absorption Measurement of Ca2+, K+ and Cl- Ions in Solution LX Dang, GK Schenter, VA Glezakou, JL Fulton The Journal of Physical Chemistry B 110 (47), 23644-23654, 2006 | 157 | 2006 |
| Impeding 99Tc(IV) mobility in novel waste forms MS Lee, W Um, G Wang, AA Kruger, WW Lukens, R Rousseau, ... Nature communications 7 (1), 12067, 2016 | 151 | 2016 |
| Understanding the role of metal and molecular structure on the electrocatalytic hydrogenation of oxygenated organic compounds JA Lopez-Ruiz, E Andrews, SA Akhade, MS Lee, K Koh, U Sanyal, SF Yuk, ... ACS Catalysis 9 (11), 9964-9972, 2019 | 149 | 2019 |
| Carboxyl intermediate formation via an in situ-generated metastable active site during water-gas shift catalysis NC Nelson, MT Nguyen, VA Glezakou, R Rousseau, J Szanyi Nature Catalysis 2 (10), 916-924, 2019 | 148 | 2019 |
| Highly active and stable MgAl2O4-supported Rh and Ir catalysts for methane steam reforming: A combined experimental and theoretical study D Mei, VA Glezakou, V Lebarbier, L Kovarik, H Wan, KO Albrecht, ... Journal of catalysis 316, 11-23, 2014 | 138 | 2014 |
| Probing equilibrium of molecular and deprotonated water on TiO2 (110) ZT Wang, YG Wang, R Mu, Y Yoon, A Dahal, GK Schenter, VA Glezakou, ... Proceedings of the National Academy of Sciences 114 (8), 1801-1805, 2017 | 124 | 2017 |
| Competitive sorption of CO2 and H2O in 2: 1 layer phyllosilicates HT Schaef, JS Loring, VA Glezakou, QRS Miller, J Chen, AT Owen, ... Geochimica et Cosmochimica Acta 161, 248-257, 2015 | 123 | 2015 |
| Anharmonicity and confinement in zeolites: structure, spectroscopy, and adsorption free energy of ethanol in H-ZSM-5 K Alexopoulos, MS Lee, Y Liu, Y Zhi, Y Liu, MF Reyniers, GB Marin, ... The Journal of Physical Chemistry C 120 (13), 7172-7182, 2016 | 118 | 2016 |
| A combined experimental and theoretical study on the activity and selectivity of the electrocatalytic hydrogenation of aldehydes DC Cantu, AB Padmaperuma, MT Nguyen, SA Akhade, Y Yoon, YG Wang, ... ACS Catalysis 8 (8), 7645-7658, 2018 | 117 | 2018 |
| Effect of collective dynamics and anharmonicity on entropy in heterogenous catalysis: Building the case for advanced molecular simulations G Collinge, SF Yuk, MT Nguyen, MS Lee, VA Glezakou, R Rousseau ACS Catalysis 10 (16), 9236-9260, 2020 | 110 | 2020 |
Roger RousseauPhysical Sciences Directorate, Chemical Sciences Division, Oak Ridge National LabVerified email at ornl.gov
