The direct oxidation of CO on the highly active Pt-skin Pt3Ni(111) surface:A first principles study

摘要：

The catalytic properties of the Pt3Ni(111) surface with Pt-skin denoted as Pt-skin Pt3Ni( 111) are investigated through the adsorption and oxidation properties of CO on the Pt-skin Pt3Ni(111). It is found that, on the Pt-skin Pt3Ni(111), the adsorption of CO and O is weaker than that on the Pt(111) due to alloying with Ni. The CO reacts with the coadsorbed O atom and forms a CO2 species which binds weakly to the surface and can easily desorb from the surface, indicating that the CO can be oxidized directly on the Pt-skin Pt3Ni(111).

关键词： CO oxidation Pt-skin Pt3Ni(111) first principles DFT

作者: Zongxian Yang Xiaohu Yu Zhansheng Lu Xianqi Dai

作者单位: College of Physics and Information Engineering, Henan Normal University, Xinxiang, Henan 453007, Chi State Key Laboratory of Coal Conversion, Institute of Coal Chemistry, Chinese Academy of Sciences, T

会议类型: 国际会议

会议名称: 2011 International Conference on Advanced Material Research(ICAMR 2011)(2011年先进材料研究国际会议)

会议地点: 重庆

会议语种:英文

页码: 147-151

在线出版日期: 2011-01-21（万方平台首次上网日期，不代表论文的发表时间）