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

被引：1
|
作者：
Yang, Zongxian [1 ]
Yu, Xiaohu [2 ]
Lu, Zhansheng [1 ]
Dai, Xianqi [1 ]
机构：
[1] Henan Normal Univ, Coll Phys & Informat Engn, Xinxiang 453007, Henan, Peoples R China
[2] Chinese Acad Sci, Inst Coal Chem, State Key Lab Coal Convers, Taiyuan 030001, Peoples R China
来源：
ADVANCED MATERIALS RESEARCH | 2011年 / 213卷
基金：
中国国家自然科学基金;
关键词：
CO; oxidation; Pt-skin Pt3Ni(111); first principles; DFT; TOTAL-ENERGY CALCULATIONS; PT(111);
D O I：
10.4028/www.scientific.net/AMR.213.147
中图分类号：
T [工业技术];
学科分类号：
08 ;
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).
引用
收藏
页码：147 / +
页数：2
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