| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5426894 | Surface Science | 2006 | 5 Pages |
Abstract
We have studied the adsorption of O2 on the Cu(1Â 0Â 0) surface using both static potential energy surface (PES) calculations and ab initio molecular dynamics. The dynamical calculations complement the PES results, revealing steering effects which could not be predicted based on the static calculations only. We study the effect of oxidation and Ag doping on O2 adsorption dynamics. The results are discussed in the light of recent molecular beam experiments.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
M. Alatalo, A. Puisto, H. Pitkänen, A.S. Foster, K. Laasonen,