Adsorption of atomic and molecular oxygen on Cu(100)

被引：31
|
作者：
Puisto, A
Pitkänen, H
Alatalo, M
Jaatinen, S
Salo, P
Foster, AS
Kangas, T
Laasonen, K
机构：
[1] Lappeenranta Univ Technol, Dept Elect Engn, FIN-53851 Lappeenranta, Finland
[2] Aalto Univ, Phys Lab, FIN-02015 Helsinki, Finland
[3] Univ Oulu, Dept Chem, FIN-90014 Oulu, Finland
来源：
CATALYSIS TODAY | 2005年 / 100卷 / 3-4期
关键词：
copper; density functional calculations; oxygen; oxidation;
D O I：
10.1016/j.cattod.2004.09.072
中图分类号：
O69 [应用化学];
学科分类号：
081704 ;
摘要：
We have studied the initial stages of the oxidation of the Cu(1 0 0) surface using ab initio calculations. Both atomic and molecular oxygen are addressed. We show that subsurface oxygen is not energetically favourable, but gets stabilized by on-surface O. We discuss the adsorption of molecular oxygen using elbow plots, which can be used in order to qualitatively understand the measured sticking coefficient at different oxygen coverages. (c) 2004 Elsevier B.V. All rights reserved.
引用
收藏
页码：403 / 406
页数：4
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