Adsorbate reorganization at steps: NO on Pd(211)

被引：59
作者：
Hammer, B
Norskov, JK
机构：
[1] Center for Atomic-scale Materials Physics, Department of Physics, Technical University of Denmark, Lyngby, DK-2800
来源：
PHYSICAL REVIEW LETTERS | 1997年 / 79卷 / 22期
关键词：
D O I：
10.1103/PhysRevLett.79.4441
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
The interaction of nitric oxide, NO, with the stepped Pd(211) surface is studied using density functional theory slab calculations. Calculated chemisorption energies and geometries reveal that surface sites are not populated in a sequential manner as the NO coverage is increased. This comes about through mutual NO interactions that reorganize the adsorbates during the adsorption. The finding of nonsequential site population allows a reinterpretation of existing experimental data.
引用
收藏
页码：4441 / 4444
页数：4
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