Author/Authors :
A. Puisto، نويسنده , , H. Pitk?nen، نويسنده , , M. Alatalo، نويسنده , , S. Jaatinen، نويسنده , , P. Salo، نويسنده , , A.S. Foster، نويسنده , , T. Kangas-Saarela، نويسنده , , K. Laasonen، نويسنده ,
Abstract :
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.
Keywords :
Oxidation , Oxygen , Density functional calculations , Copper
