目前主要在材料物性的高精度和多尺度模拟方面开展研究工作,具体的研究方向包括:
材料物性(结构,力学,电学,磁学等)的高精度预测
纳米粒子形貌演化的第一性原理预测
金属表面氧化以及新型防腐材料设计
主持国家自然科学基金青年基金项目1项、湖南省自然科学基金青年项目1项,在Phys.Rev.B、Appl.Phys.Lett.、 J.Chem.Phys.、J.Phys.Chem.C等国际权威物理学期刊发表SCI论文20余篇,SCI他引150余次,2012年获湖南省自然科学二等奖1项(排名第二)。
近年发表的有代表性的论文:
Wei-Bing Zhang, Jie Li, and Bi-Yu Tang, Role of electronic correlation in high-low temperature phase transition of hexagonal Nickel Sulfide: A comparative Density Functional Theory study with and without correction for on-site Coulomb interaction, J.Chem.Phys. 138,244703(2013) (SCI 二区)
Wei-Bing ZHANG, Chuan CHEN, and Hai-Qing XIE,A Comparative Density-Functional Theory Investigation of Oxygen Adsorption on Stepped Ni Surfaces 3(hkl)×(111) [hkl=(111); (100); (110)]: Role of Terrace Orientation, J. Phys. Soc. Jpn. 82 ,074709(2013) (SCI 二区)
Wei-Bing Zhang, Xiao-Bing Xiao, Wei-Yang Yu, Na Wang, and Bi-Yu Tang, Electronic structure and Fermi surface character of LaNiPO from first principles, Phys. Rev. B 77, 214513 (2008). PRB “kaleidoscope”, http://prb.aps.org/node/1858(SCI 二区)
Wei-Bing Zhang, Yu-Lin Hu, Ke-Li Han, and Bi-Yu Tang, Pressure Dependence of Exchange Interactions in NiO, Phys.Rev. B 74,054421(2006). (SCI 二区)
Wei-Bing Zhang and Bi-Yu Tang, Surface Adsorption Phase Diagram of O/Ni(110) system: An ab inito atomistic thermodynamics investigation, Appl.Phys.Lett. 94, 091901 (2009). (SCI 二区)
Wei-Bing Zhang and Bi-Yu Tang, Stability of MgO(111) Polar Surface: Effect of the Environment, J. Phys. Chem. C 112, 3327(2008). (SCI 二区)
Wei-Bing Zhang and Bi-Yu Tang, Stability of the Polar NiO(111) surface, J.Chem.Phys. 128, 124703 (2008). (SCI 二区)
Wei-Bing Zhang, Yu-Lin Hu, Ke-Li Han, and Bi-Yu Tang, Structural Distortion and Electronic Properties of NiO under High Pressure : An ab initio GGA+ U Study. J.Phys.:Condens.Matter 18 ,9691(2006). (SCI)
Wei-Bing Zhang and Bi-Yu Tang, First-principles studies of the oxygen adsorption on unreconstructed and reconstructed Ni (110) surfaces, Surf.Sci. 603, 1002(2009). (SCI)
Wei-Bing Zhang, Yong-He Deng, Yu-Lin Hu, Ke-Li Han and Bi-Yu Tang,Structural distortion of B1-structured MnO and FeO,Solid State Commun.142 , 6 (2007). (SCI)
Wei-Bing Zhang, Na Yu, Wei-Yang Yu and Bi-Yu Tang, Stability and Magnetism of Vacancy in NiO:A GGA+U Study, Eur. Phys. J. B 64, 153 (2008). (SCI)
联系方式:
Email: zhangwb@csust.edu.cn;weibingzhangavh@gmail.com
通讯地址:(邮政编码410004)湖南省长沙市雨花区万家丽南路二段960号
长沙理工大学云塘校区物理与电子科学学院