1.Lu Li , Xin Huang, Yong-Fan Zhang, Xin Guo, Wen-Kai Chen*.First-principles investigation of H2O on HfO2(1 1 0) surface.App Surf Sci, 2013, 264, 424-432.
2.Wei-Na Zhao, Wen-Kai Chen*.Structures and electronic properties of a Co2P cluster deposited on the rutile TiO2(110) Surface by first principles calculations.J Theor Comput Chem, 2013, 12(1), 1250102.
3.3 Wei-Na Zhao, Hua-Xiang Lin, Yi Li, Yong-Fan Zhang, Xin Huang, Wen-kai Chen*.Growth mechanism of palladium clusters on rutile TiO2(110) surface.J Nat Gas Chem 2012, 21(5): 544–555.
4.Yu-Dong Du, Wen-Kai Chen*, Yong-Fan Zhang, Xin Guo.Study of CO adsorption on perfect and defective pyrite (100) surfaces by density functional theory.J Nat Gas Chem, 2011, 20 (1): 60-64.
Bao-Zhen Sun, Wen-Kai Chen*, Yi-Jun Xu.Reaction mechanism of CO oxidation on Cu2O(111): A density functional study. J Chem Phys, 2010, 133 (15), 154502.