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
475 2015 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
357 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
353 2013 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
341 2017 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
332 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
275 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
272 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
268 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 Structure of a R Mazzarello, A Cossaro, A Verdini, R Rousseau, L Casalis, ...
Physical Review Letters 98 (1), 016102, 2007
243 2007 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
243 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
241 2009 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
231 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
188 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
156 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 La2 O3 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
137 2000 
Vassiliki-Alexandra (Vanda) GlezakouDistinguished Scientist, ORNLEmail verificata su ornl.gov
