羅文嘉，男，1985年1月出生，博士。長期從事計算化學方法研究，工業催化材料的模擬及理性設計。主要研究方向包括：密度泛函理論（DFT）計算、多相催化、電催化、清潔能源等。已發表SCI論文十餘篇。
基本介紹
- 中文名：羅文嘉
- 國籍：中國
- 畢業院校：美國俄亥俄州立大學
- 學位/學歷：博士
- 職業：教師
人物經歷,代表性成果,
人物經歷
2003-2007 清華大學化學工程系 學士
2007-2010 清華大學化學工程系 碩士
2010-2015 美國俄亥俄州立大學化學工程系 博士
2015--- 西南石油大學化學化工學院 副研究員
代表性成果
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 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. 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.
