Roger Rousseau
Roger Rousseau
PNNL, Physical and Computational Sciences Directorate, Physical Sciences Division, BAMF Group
Verified email at pnnl.gov - Homepage
Title
Cited by
Cited by
Year
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
3192008
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
2792010
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), 1-8, 2015
2472015
Metal work-function changes induced by organic adsorbates: A combined experimental and theoretical study
V De Renzi, R Rousseau, D Marchetto, R Biagi, S Scandolo, ...
Physical review letters 95 (4), 046804, 2005
2372005
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
2292013
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
2292007
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
2132002
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
1952011
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
1952010
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
1752010
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
1662009
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
1602014
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
1572001
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
1252000
Structural principles and amorphouslike thermal conductivity of Na-doped Si clathrates
JS Tse, K Uehara, R Rousseau, A Ker, CI Ratcliffe, MA White, G MacKay
Physical review letters 85 (1), 114, 2000
1172000
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
1112010
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
1092016
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
1062017
The role of pendant amines in the breaking and forming of molecular hydrogen catalyzed by nickel complexes
S Raugei, S Chen, MH Ho, B Ginovska‐Pangovska, RJ Rousseau, ...
Chemistry–A European Journal 18 (21), 6493-6506, 2012
1032012
Hydrogen oxidation catalysis by a nickel diphosphine complex with pendant tert-butyl amines
JY Yang, S Chen, WG Dougherty, WS Kassel, RM Bullock, DL DuBois, ...
Chemical Communications 46 (45), 8618-8620, 2010
982010
The system can't perform the operation now. Try again later.
Articles 1–20