Tight-binding model of CO adsorption at Pt/Ni(111) surface

被引：9
作者：
Pick, S
机构：
[1] J. Heyrovsky Inst. of Phys. Chem., Acad. of Sci. of the Czech Republic, CZ-182 23 Prague 8
来源：
SURFACE SCIENCE | 1996年 / 352卷
关键词：
carbon monoxide; catalysis; chemisorption; metal-metal nonmagnetic thin firn structures; nickel; platinum; semi-empirical models and model calculations;
D O I：
10.1016/0039-6028(95)01151-X
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Chemisorption of CO on Pt overlayer deposited on Ni(111) is studied within a semi-empirical self-consistent tight-binding method. It is argued that the chemisorption energy is lower than at Pt(111) mainly due to the possible overlayer compression. The result has bearing also on the (111) surface of PtNi alloys. Surface core-level shifts are evaluated within the initial-state picture. The previously found correlation between core-level shifts and the chemisorption-enegy variation is again confirmed in situations when the changes are significant. Trends in additional core-level shifts induced by the admolecule are mentioned.
引用
收藏
页码：300 / 304
页数：5
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