Faculty Profile
 
  ZENG Zhi
     
Department: Institute of Solid State Physics, Chinese Academy of Sciences
Mailing Address:
350 Shushanhu Road Hefei 230031, Anhui, P. R. China
Postal Code:
230031
Phone:
0551-65591407
Fax:
65591434
Homepage:
http://www.issp.cas.cn/rcdw/yjjh/yanjiuyuanjieshao/201211/t20121106_101561.html
 
       

Research Profile

Zhi Zeng, Female, born in 1962, Ph.D, Professor of the Research Laboratary for Computational Materials Sciences, Institute of Solid State Physics, Chinese Academy of Sciences.  Main interests are computational Physics, computer simulations and theoretical study for novel Physical phenomena. The research currently is focused computational methods within the local density functional approximation approach, magnetic property, chemical property of the compounds, superconductivity, single molecule magnets, and the interplay between superconductivity and magnetism, etc. The involved materials include transitional metal oxides, superconductors, single molecule magnets, proteins and hydrogenases. 
 
     
Selected Publications
1) Defect physics in intermediate band semiconductors: insights from an optimized hybrid functional , Phys. Rev. B , 2017 , 6,165204
2) Realizing bias-induced spin transition with high-spin MnII complexes at room temperature , J. Mater. Chem. C , 2017 , 5, 11598-11604
3) Effects of grain size on the behavior of hydrogen/helium retention in tungsten: A cluster dynamics modeling , Nucl. Fusion , 2017 , 57, 086020
4)  The role of Sb in solar cell material Cu2ZnSnS4 , J. Mater. Chem. A , 2017 , 5, 6606
5)  Bias induced spin transitions of spin crossover molecules: the role of charging effect , Phys. Chem. Chem. Phys. , 2017 , 19, 7652
6) Ion radiation albedo effect: influence of surface roughness on ion implantation and sputtering of materials , Nucl. Fusion , 2017 , 57, 016038
7) Pressure induced thermoelectric enhancement in SnSe crystals , J. Mater. Chem. A , 2016 , 4, 12073-12079
8) The group VA element non-compensated n-p codoping in CuGaS2 for intermediate band materials , Solar Energy Materials & Solar Cells , 2016 , 144, 664
9)  IM3D: A parallel Monte Carlo code for efficient simulations of primary radiation displacements and damage in 3D geometry , Sci. Rep. , 2015 , 5, 18130
10) Roles of Mass, Structure, and Bond Strength in the Phonon Properties and Lattice Anharmonicity of Single-Layer Mo and W Dichalcogenides , J. Phys. Chem. C , 2015 , 119, 18779−18789
11) Nonlocal and Local Electrochemical Effects of Doping Impurities on the Reactivity of Graphene , J. Phys. Chem. C , 2015 , 119, 10513-10519
12) Phonon properties, thermal expansion, and thermomechanics of silicene and germanene , Phys. Rev. B , 2015 , 91, 205433
13)  Primary radiation damage near grain boundary in bcc tungsten by molecular dynamics simulations , Journal of Nuclear Materials , 2015 , 458, 138
 
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TEL: +86-551-63600279, E-mail: tianlin@ustc.edu.cn