1. Wang, H., Luo, W. et al. Synergistically Enhanced Oxygen Reduction Electrocatalysis by Subsurface Atoms in Ternary PdCuNi Alloy Catalysts, Advanced Functional Materials 2018 28 (15), 1707219
2. Luo, W., Nie, X., Janik, M.J. and Asthagiri, A., Facet Dependence of CO2 Reduction Paths on Cu Electrodes. ACS Catalysis 2016 6(1): 219-229.
3. Akhade,S. A., Luo, W., Nie, X., Asthagiri, A. and Janik, M.J., Theoretical insight on reactivity trends in CO2 electroreduction across transition metals. Catalysis Science undefinedamp; Technology 2016, 6(4): 1042-1053.
4. Huang,Z., Luo, W., Ma, L., Yu, M., Ren, X., He, M., Polen, S., Click, K., Garrett, B, Lu, J., Amine, K., Hadad, C., Chen, W., Asthagiri, A. and Wu, Y., Dimeric [Mo2S12]2− Cluster: A Molecular Analogue of MoS2 Edges for Superior Hydrogen-Evolution Electrocatalysis. Angewandte Chemie International Edition2015, 54(50):15181-15185.
5. Akhade,S. A.; Luo, W.; Nie, X.; Bernstein, N. J.; Asthagiri, A.; Janik, M. J.,Poisoning Effect of Adsorbed CO During CO2 Electroreduction on LateTransition Metals. Phys. Chem. Chem. Phys. 2014, 16,20429-20435.
6. Nie,X., W. Luo, M. J. Janik and A. Asthagiri (2014). Reaction mechanisms ofCO2 electrochemical reduction on Cu(111) determined with density functionaltheory. Journal of Catalysis, 2014, 312(0): 108-122.
7. Luo,W.;Asthagiri, A., An Ab Initio Thermodynamics Study of Cobalt Surface Phases underEthanol Steam Reforming Conditions. Catal. Sci. undefinedamp; Technol. 2014,4, 3379-3389.
8. Luo,W.;Asthagiri, A., Density Functional Theory Study of Methanol Steam Reforming onCo(0001) and Co(111) Surfaces. J. Phys. Chem. C 2014, 118,15274-15285.
9. Liang,T.; Cheng, Y.-T.; Nie, X.; Luo, W.; Asthagiri, A.; Janik, M. J.;Andrews, E.; Flake, J.; Sinnott, S. B., Molecular Dynamics Simulations of CO2Reduction on Cu(111) and Cu/ZnO(10-10) Using Charge Optimized Many BodyPotentials. Catal. Commun. 2014, 52, 84-87.
10. Bao,X.; Nie, X.; von Deak, D.; Biddinger, E.; Luo, W.; Asthagiri, A.; Ozkan,U.; Hadad, C., A First-Principles Study of the Role of Quaternary-N Doping onthe Oxygen Reduction Reaction Activity and Selectivity of Graphene Edge Sites. Top.Catal. 2013, 56, 1623-1633.
11. Lei,Y.; Luo, W.; Zhu, Y., A Matching Algorithm for Catalytic Residue SiteSelection in Computational Enzyme Design. Protein Sci. 2011, 20,1566-1575.
12. Luo,W.;Pei, J.; Zhu, Y., A Fast Protein-Ligand Docking Algorithm Based on HydrogenBond Matching and Surface Shape Complementarity. J. Mol. Model. 2010,16, 903-913. |
