Coadsorption of gold with chlorine on CeO_2(111) surfaces:A first principles study

作     者：路战胜 赫丙玲 马东伟 杨宗献 Lu Zhan-Sheng;He Bing-Ling;Ma Dong-Wei;Yang Zong-Xian

作者机构：College of Physics and Electronic EngineeringHenan Normal University Department of Physics and Electronic EngineeringXinxiang University School of PhysicsAnyang Normal University 

出 版 物：《Chinese Physics B》 (中国物理B（英文版）)

年 卷 期：2015年第24卷第2期

页      面：350-356页

核心收录：

学科分类：07[理学] 070205[理学-凝聚态物理] 0702[理学-物理学] 

基　　金：supported by the National Natural Science Foundation of China(Grant Nos.11174070,51401078,and 11147006) the China Postdoctoral Science Foundation(Grant No.2012M521399) the Postdoctoral Research Sponsorship in Henan Province,China(Grant No.2011038) the Foundation for the Key Young Teachers of Henan Normal University Start-up Foundation for Doctors of Henan Normal University,China 

主　　题：Au adsorption chlorine CeO2 (111) first principles study 

摘      要：To investigate the effects of chlorine on the Au/ceria catalysts,the adsorption of gold or chlorine and their coadsorpiton on the stoichiometric and partially reduced CeO2（111） surfaces are studied from the first *** is found that the adsorption of Au is significantly enhanced by the chlorine preadsorption on the stoichiometric CeO2（111） surface;while on the partially reduced CeO2（111） surface,the preadsorbed chlorine inhabits the oxygen vacancy（which is the preferred adsorption site for gold）,leading to a CeOCl phase and the dramatical weakening of the Au ***,chlorine on the CeO2（111） surface can affect the Au adsorption thus the activity of the Au/CeO2 catalyst.