| 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 | 490 | 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 | 365 | 2017 |
| X-ray diffraction and computation yield the structure of alkanethiols on gold (111) A Cossaro, R Mazzarello, R Rousseau, L Casalis, A Verdini, A Kohlmeyer, ... Science 321 (5891), 943-946, 2008 | 358 | 2008 |
| 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 | 357 | 2013 |
| Thermally-driven processes on rutile TiO2 (1 1 0)-(1× 1): A direct view at the atomic scale Z Dohnálek, I Lyubinetsky, R Rousseau Progress in Surface Science 85 (5-8), 161-205, 2010 | 335 | 2010 |
| 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 | 296 | 2020 |
| First-principles study of phenol hydrogenation on Pt and Ni catalysts in aqueous phase Y Yoon, R Rousseau, RS Weber, D Mei, JA Lercher Journal of the American Chemical Society 136 (29), 10287-10298, 2014 | 279 | 2014 |
| Distribution of Ti3+ Surface Sites in Reduced TiO2 NA Deskins, R Rousseau, M Dupuis The Journal of Physical Chemistry C 115 (15), 7562-7572, 2011 | 269 | 2011 |
| Metal Work-Function Changes Induced by Organic Adsorbates:<? format?> A Combined Experimental and Theoretical Study V De Renzi, R Rousseau, D Marchetto, R Biagi, S Scandolo, ... Physical review letters 95 (4), 046804, 2005 | 261 | 2005 |
| Pulling Monatomic Gold Wires with Single Molecules: An Ab Initio Simulation D Krüger, H Fuchs, R Rousseau, D Marx, M Parrinello Physical review letters 89 (18), 186402, 2002 | 244 | 2002 |
| Localized Electronic States from Surface Hydroxyls and Polarons in TiO2(110) NA Deskins, R Rousseau, M Dupuis The Journal of Physical Chemistry C 113 (33), 14583-14586, 2009 | 242 | 2009 |
| Structure of a Monolayer on Au(111) Solved by the Interplay between Molecular Dynamics Calculations and Diffraction Measurements R Mazzarello, A Cossaro, A Verdini, R Rousseau, L Casalis, ... Physical Review Letters 98 (1), 016102, 2007 | 242 | 2007 |
| Defining the Role of Excess Electrons in the Surface Chemistry of TiO2 NA Deskins, R Rousseau, M Dupuis The Journal of Physical Chemistry C 114 (13), 5891-5897, 2010 | 239 | 2010 |
| 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 | 234 | 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 | 192 | 2016 |
| Interaction of short-chain alkane thiols and thiolates with small gold clusters: Adsorption structures and energetics D Krüger, H Fuchs, R Rousseau, D Marx, M Parrinello The Journal of Chemical Physics 115 (10), 4776-4786, 2001 | 164 | 2001 |
| 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 | 158 | 2019 |
| Atomistic simulation of water percolation and proton hopping in Nafion fuel cell membrane R Devanathan, A Venkatnathan, R Rousseau, M Dupuis, T Frigato, W Gu, ... The Journal of Physical Chemistry B 114 (43), 13681-13690, 2010 | 146 | 2010 |
| Effects of La2O3 on the Mixed Higher Alcohols Synthesis from Syngas over Co Catalysts: A Combined Theoretical and Experimental Study VM Lebarbier, D Mei, DH Kim, A Andersen, JL Male, JE Holladay, ... The Journal of Physical Chemistry C 115 (35), 17440-17451, 2011 | 144 | 2011 |
| Inducing desorption of organic molecules with a scanning tunneling microscope: Theory and experiments S Alavi, R Rousseau, SN Patitsas, GP Lopinski, RA Wolkow, T Seideman Physical review letters 85 (25), 5372, 2000 | 138 | 2000 |
Vassiliki-Alexandra (Vanda) GlezakouDistinguished Scientist, ORNLVerified email at ornl.gov
