Adsorption of CO on Pd(100): Steering into less favored adsorption sites
被引:51
作者:
Eichler, A
论文数: 0引用数: 0
h-index: 0
机构:Vienna Univ Technol, Inst Theoret Phys, A-1040 Vienna, Austria
Eichler, A
Hafner, J
论文数: 0引用数: 0
h-index: 0
机构:Vienna Univ Technol, Inst Theoret Phys, A-1040 Vienna, Austria
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.