Structure and reactivity of Pd doped Ag surfaces

被引：8
|
作者：
Jaatinen, S
Salo, P
Alatalo, M
Kulmala, V
Kokko, K
机构：
[1] Aalto Univ, Phys Lab, FIN-02015 Helsinki, Finland
[2] Univ Turku, Dept Phys, FIN-20014 Turku, Finland
来源：
SURFACE SCIENCE | 2003年 / 529卷 / 03期
基金：
芬兰科学院;
关键词：
carbon monoxide; density functional calculations; oxygen; palladium; silver; surface chemical reaction; surface electronic phenomena (work function; surface potential; surface states; etc.); surface structure; morphology; roughness; and topography;
D O I：
10.1016/S0039-6028(03)00304-2
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：
We have performed first principles calculations for clean and Pd doped Ag(1 1 1) and Ag(1 0 0) surfaces, with and without adsorbed O and CO. Our results for the structure of the Pd doped Ag surfaces indicate that Pd atoms are located lower than the surrounding Ag surface atoms. We find that O atoms adsorbed on Pd doped Ag(1 1 1) reside at the fee hollow sites, the site next to Pd being slightly favored. Moreover, we provide results for O and CO, co-adsorption on the clean and Pd doped Ag(1 1 1) surfaces, indicating that Pd can act as an electronic promoter for the CO oxidation reaction. (C) 2003 Elsevier Science B.V. All rights reserved.
引用
收藏
页码：403 / 409
页数：7
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