Ph.D., Physical Chemistry, Fudan University, China, 2012

B.S., Chemistry, Fudan University, China, 2007

Theoretical study of reaction mechanism and rational design of new catalytic materials

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[13] Wei, G. F.; Liu, Z. P., “Subnano Pt Particles from a First Principles Stochastic Surface Walking Global Search”,J. Chem. Theory Comput., 2016, 12, 4698.

[12] Zhao. H. Y.^#;Wei, G. F.^#; Gao, J. X.; Liu, Z. P.; Zhao, G. H., “Ultrasonic electrochemical reaction on boron-doped diamond electrode: Reaction pathway and theoretical mechanism”,ChemElectroChem, 2016, 2, 366.

[11] Wei, G. F.; Liu, Z. P., “Restructuring and Hydrogen Evolution on Pt Nanoparticle”,Chem. Sci., 2015, 6, 1485.

[10] Wei, G. F.; Shang, C.; Liu, Z. P., “Confined Platinum Nanoparticle in Carbon Nanotube: Structure and Oxidation”,Phys. Chem. Chem. Phys., 2015, 17, 2078.

[9] Chen, Q.;Wei, G. F.; Tian, W. J.; Bai, H.; Liu, Z. P.; Zhai, H. J.; Li, S. D., “Quasi-planar aromatic B-36 and B-36(-) clusters: all-boron analogues of coronene”,Phys. Chem. Chem. Phys., 2014, 34, 18282.

[8] Fang, Y. H.;Wei, G. F.; Liu, Z. P., “Constant-Charge Reaction Theory for Potential-Dependent Reaction Kinetics at Solid-Liquid Interface”,J. Phys. Chem. C., 2014, 118, 3629.

[7] Zhai, H. J.; Zhao, Y. F.; Li, W. L.; Chen, Q.; Bai, H.; Hu, H. S.; Piazza, Z. A.; Tian, W. J.; Lu, H. G..; Wu, Y. B.; Mu, Y. W.;Wei, G. F.; Liu, Z. P.; Li, J.; Li, S. D.; Wang, L. S., “Observation of an all-boron fullerene”,Nature Chemistry, 2014, 8, 727.

[6] Wei, G. F.; Liu, Z. P., “Optimum nanoparticles for electrocatalytic oxygen reduction: the size, shape and new design”,Phys. Chem. Chem. Phys., 2013, 15, 18555.

[5] Fang, Y. H.;Wei, G. F.; Liu, Z. P., “Catalytic Role of Minority Species and Minority Sites for Electrochemical Hydrogen Evolution on Metals: Surface Charging, Coverage, and Tafel Kinetics”,J. Phys. Chem. C, 2013, 117, 7669.

[4] Fang, Y. H.;Wei, G. F.; Liu, Z. P., “Theoretical modeling of electrode/electrolyte interface from first-principles periodic continuum solvation method”,Catalysis today, 2013, 202, 98.

[3] Wei, G. F.; Fang, Y. H.; Liu, Z. P., “First principles Tafel kinetics for resolving key parameters in optimizing oxygen electrocatalytic reduction catalyst”,J. Phys. Chem. C, 2012, 116, 12696.

[2] Wei, G. F.; Liu, Z. P., “Towards active and stable oxygen reduction cathodes: a density functional theory survey on Pt(2)M skin alloys”,Energy Environ. Sci., 2011, 4, 1268.

[1] Wei, G. F.; Yan, X. X.; Yi, J.; Zhao, L. Z.; Zhou, L.; Wang, Y. H.; Yu, C. Z., “Synthesis and in-vitro bioactivity of mesoporous bioactive glasses with tunable macropores”,Microporous Mesoporous Mat., 2011, 143, 157.