个人简历

2003-2007： 清华大学化学工程系 学士
2007-2010： 清华大学化学工程系 硕士
2010-2015： 美国俄亥俄州立大学化学工程系 博士
2015-今 ： 西南石油大学化学化工学院 讲师

研究领域

密度泛函理论（DFT）计算、多相催化、电催化、清洁能源等。

近期论文

1. Luo,W.,X. Nie, M. J. Janik and A. Asthagiri. Facet Dependence of CO2 Reduction Pathson Cu Electrodes. ACS Catalysis2016 6(1): 219-229.

2. Akhade,S. A., W. Luo, X. Nie, A. Asthagiri and M. J. Janik (2016). Theoreticalinsight on reactivity trends in CO2 electroreduction across transition metals. CatalysisScience & Technology2016, 6(4): 1042-1053.

3. Huang,Z., W. Luo, L. Ma, M. Yu, X. Ren, M. He, S. Polen, K. Click, B. Garrett,J. Lu, K. Amine, C. Hadad, W. Chen, A. Asthagiri and Y. Wu. Dimeric [Mo2S12]2−Cluster: A Molecular Analogue of MoS2 Edges for Superior Hydrogen-EvolutionElectrocatalysis. Angewandte Chemie International Edition2015, 54(50):15181-15185.
4. 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.

5. 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.


6. Luo,W.;Asthagiri, A., An Ab Initio Thermodynamics Study of Cobalt Surface Phases underEthanol Steam Reforming Conditions. Catal. Sci. & Technol. 2014,4, 3379-3389.

7. 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.

8. 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.

9. 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.

10. Lei,Y.; Luo, W.; Zhu, Y., A Matching Algorithm for Catalytic Residue SiteSelection in Computational Enzyme Design. Protein Sci. 2011, 20,1566-1575.

11. 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.