Roger Rousseau

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Vassiliki-Alexandra (Vanda) GlezakouDistinguished Scientist, ORNLVerifisert e-postadresse på ornl.gov
Mal-Soon LeeSenior Scientist, Pacific Northwest National LaboratoryVerifisert e-postadresse på pnnl.gov
Manh-Thuong NguyenPacific Northwest National LaboratoryVerifisert e-postadresse på pnnl.gov
Zdenek DohnalekScientist, PNNLVerifisert e-postadresse på pnnl.gov
David C. CantuUniversity of Nevada, RenoVerifisert e-postadresse på unr.edu
Donghai MeiSchool of Environmental Science and Engineering, Tiangong UniversityVerifisert e-postadresse på tiangong.edu.cn
David J. Heldebrant, PhDLaboratory Fellow, Pacific Northwest National Laboratory, ACS FellowVerifisert e-postadresse på pnnl.gov
Johannes LercherTU München, Pacific Northwest National LaboratoryVerifisert e-postadresse på ch.tum.de
Phillip K. KoechScientist, Pacific Northwest National LabVerifisert e-postadresse på pnnl.gov
Deepika MalhotraPacific Northwest National Laboratory (PNNL)Verifisert e-postadresse på pnnl.gov
Enric CanadellInstitut de Ciència de Materials de Barcelona (ICMAB-CSIC)Verifisert e-postadresse på icmab.es
Bruce KayPNNLVerifisert e-postadresse på pnnl.gov
Oliver Y. GutiérrezPacific Northwest National LaboratoryVerifisert e-postadresse på pnnl.gov
Simuck F. YukAssistant Professor, United States Military AcademyVerifisert e-postadresse på westpoint.edu
Jun LI (李隽)Professor of Chemistry, Tsinghua UniversityVerifisert e-postadresse på tsinghua.edu.cn
R. Morris BullockPacific Northwest National LaboratoryVerifisert e-postadresse på pnnl.gov
Yeohoon YoonPacific Northwest National LaboratoryVerifisert e-postadresse på pnnl.gov
Sandro ScandoloICTP, Trieste, ItalyVerifisert e-postadresse på ictp.it
Sneha A. AkhadeLawrence Livermore National LaboratoryVerifisert e-postadresse på llnl.gov
Difan ZhangPacific Northwest National LaboratoryVerifisert e-postadresse på pnnl.gov

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Roger Rousseau

Physical Sciences Directorate, Chemical Sciences Division, Oak Ridge National Lab

Verifisert e-postadresse på ornl.gov - Startside

Theory and Computation Surface Science Catalysis


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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	498	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	366	2017
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	360	2013
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	359	2008
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	333	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	297	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	283	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	263	2005
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	243	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	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
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	242	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	194	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	160	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
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	138	2016

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