How carbon monoxide adsorbs in different sites

被引：152
作者：
Föhlisch, A
Nyberg, M
Hasselström, J
Karis, O
Pettersson, LGM
Nilsson, A
机构：
[1] Univ Uppsala, Dept Phys, S-75121 Uppsala, Sweden
[2] Univ Stockholm, FYSIKUM, S-11385 Stockholm, Sweden
来源：
PHYSICAL REVIEW LETTERS | 2000年 / 85卷 / 15期
关键词：
D O I：
10.1103/PhysRevLett.85.3309
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
The interplay between the electronic and the geometric structure of adsorbates is of fundamental importance for the understanding of many surface phenomena. Using x-ray emission spectroscopy and ab initio cluster calculations, this issue has been investigated in unprecedented detail for CO adsorption in different adsorption sites. The investigation establishes pi bonding and sigma repulsion, both increasing with the number of coordinated metal atoms. The two contributions partly compensate each other, leading to only small differences in adsorption energies for the different adsorption sites despite very large variations in the electronic structure.
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页码：3309 / 3312
页数：4
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