| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 9610518 | Catalysis Today | 2005 | 4 Pages |
Abstract
We have studied the initial stages of the oxidation of the Cu(1Â 0Â 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.
Related Topics
Physical Sciences and Engineering
Chemical Engineering
Catalysis
Authors
A. Puisto, H. Pitkänen, M. Alatalo, S. Jaatinen, P. Salo, A.S. Foster, T. Kangas, K. Laasonen,