Wenjia Luo
Wenjia Luo
Southwest Petroleum University
Verified email at swpu.edu.cn
TitleCited byYear
Reaction mechanisms of CO2 electrochemical reduction on Cu (1 1 1) determined with density functional theory
X Nie, W Luo, MJ Janik, A Asthagiri
Journal of catalysis 312, 108-122, 2014
1652014
Facet Dependence of CO2 Reduction Paths on Cu Electrodes
W Luo, X Nie, MJ Janik, A Asthagiri
ACS Catalysis 6 (1), 219-229, 2016
1332016
Dimeric [Mo2S12]2− Cluster: A Molecular Analogue of MoS2 Edges for Superior Hydrogen‐Evolution Electrocatalysis
Z Huang, W Luo, L Ma, M Yu, X Ren, M He, S Polen, K Click, B Garrett, ...
Angewandte Chemie International Edition 54 (50), 15181-15185, 2015
1082015
A first-principles study of the role of quaternary-N doping on the oxygen reduction reaction activity and selectivity of graphene edge sites
X Bao, X Nie, D von Deak, EJ Biddinger, W Luo, A Asthagiri, US Ozkan, ...
Topics in Catalysis 56 (18-20), 1623-1633, 2013
522013
Poisoning effect of adsorbed CO during CO 2 electroreduction on late transition metals
SA Akhade, W Luo, X Nie, NJ Bernstein, A Asthagiri, MJ Janik
Physical Chemistry Chemical Physics 16 (38), 20429-20435, 2014
412014
Density functional theory study of methanol steam reforming on Co (0001) and Co (111) surfaces
W Luo, A Asthagiri
The Journal of Physical Chemistry C 118 (28), 15274-15285, 2014
402014
Theoretical insight on reactivity trends in CO 2 electroreduction across transition metals
SA Akhade, W Luo, X Nie, A Asthagiri, MJ Janik
Catalysis Science & Technology 6 (4), 1042-1053, 2016
382016
Mechanistic Understanding of Alloy Effect and Water Promotion for Pd-Cu Bimetallic Catalysts in CO2 Hydrogenation to Methanol
X Nie, X Jiang, H Wang, W Luo, MJ Janik, Y Chen, X Guo, C Song
ACS Catalysis 8 (6), 4873-4892, 2018
312018
A fast protein-ligand docking algorithm based on hydrogen bond matching and surface shape complementarity
W Luo, J Pei, Y Zhu
Journal of molecular modeling 16 (5), 903-913, 2010
292010
Synergistically enhanced oxygen reduction electrocatalysis by subsurface atoms in ternary PdCuNi alloy catalysts
H Wang, W Luo, L Zhu, Z Zhao, B E, W Tu, X Ke, M Sui, C Chen, Q Chen, ...
Advanced Functional Materials 28 (15), 1707219, 2018
232018
A matching algorithm for catalytic residue site selection in computational enzyme design
Y Lei, W Luo, Y Zhu
Protein science 20 (9), 1566-1575, 2011
232011
An ab initio thermodynamics study of cobalt surface phases under ethanol steam reforming conditions
W Luo, A Asthagiri
Catalysis Science & Technology 4 (9), 3379-3389, 2014
192014
Molecular dynamics simulations of CO2 reduction on Cu (111) and Cu/ZnO (10 1 0) using charge optimized many body potentials
T Liang, YT Cheng, X Nie, W Luo, A Asthagiri, MJ Janik, E Andrews, ...
Catalysis Communications 52, 84-87, 2014
142014
Water adsorption on olivine (010) surfaces: Effect of alkali and transition metal cation doping
T Liu, W Luo, DR Cole, A Asthagiri
The Journal of chemical physics 150 (4), 044703, 2019
22019
Theoretical Study on PdCu/CeO2-Catalyzed Water–Gas Shift Reaction: Crucial Role of the Metal/Ceria Interface and O2 Enhancement Effects
W Luo, Y Chen, Z Du, C Chen
The Journal of Physical Chemistry C 122 (50), 28868-28883, 2018
22018
A Multi-Scale Modeling of CH4 and H2O Adsorption on Coal Molecules and the Water Blocking Effect in Coalbed Methane Extraction
Y Yang, L Lin, M Li, X Zhang, C Yang, Y Wang, B Fan, C Chen, W Luo
Applied Sciences 9 (16), 3421, 2019
12019
First-principles study of water-gas shift reaction on cobalt: Microkinetic modeling of a system with strong coverage effects
W Luo, A Asthagiri
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 253, 2017
2017
Facet dependence of CO2 electroreduction on Cu catalysts
A Asthagiri, W Luo, X Nie, M Janik
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 251, 2016
2016
Dimeric [Mo₂S₁₂] ⁻ Cluster: A Molecular Analogue of MoS₂ Edges for Superior Hydrogen-Evolution Electrocatalysis
Z Huang, W Luo, L Ma, M Yu, X Ren, M He, S Polen, K Click, BR Garrett, ...
Angewandte Chemie (International Edition) 54 (50), 2015
2015
DFT study of ethanol steam reforming on metallic and oxidized cobalt
W Luo, A Asthagiri
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 249, 2015
2015
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