Coadsorption of gold with chlorine on CeO2 (111) surfaces:A first principles study

• 作者: 杨宗献 赫丙玲 路战胜 马东伟
• 来源期刊: 中国物理B（英文版）
• 关键词: Au adsorption chlorine CeO2 (111) first principles study
• 年，卷（期）: 2015,（2）
• 页码范围: 026801-1-026801-7
• 页数: 1页
• 语种: 英文
• DOI: 10.1088/1674-1056/24/2/026801

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 principles. It 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 adsorption. Therefore, chlorine on the CeO2 (111) surface can affect the Au adsorption thus the activity of Au/CeO2 catalyst.