Adsorption of CO on Pd(100): Steering into less favored adsorption sites

被引：51
作者：
Eichler, A
Hafner, J
机构：
[1] Vienna Univ Technol, Inst Theoret Phys, A-1040 Vienna, Austria
[2] Vienna Univ Technol, Ctr Computat Mat Sci, A-1040 Vienna, Austria
来源：
PHYSICAL REVIEW B | 1998年 / 57卷 / 16期
关键词：
D O I：
10.1103/PhysRevB.57.10110
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
Molecular steering effects have been shown already in a number of cases to constitute an effective mechanism to avoid barriers and enhance sticking at low incidence energies. We present a study of the adsorption process of CO on the Pd(100) surface, where a similar mechanism leads to trapping of some of the molecules in less favorable surface sites. The electronic charge transfers and redistributions connected with this process are analyzed in detail.
引用
收藏
页码：10110 / 10114
页数：5
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