Title of article
Adsorption dynamics of O2 on Cu(1 0 0)
Author/Authors
Alatalo، نويسنده , , M. and Puisto، نويسنده , , A. and Pitkنnen، نويسنده , , H. and Foster، نويسنده , , A.S. and Laasonen، نويسنده , , K.، نويسنده ,
Issue Information
هفته نامه با شماره پیاپی سال 2006
Pages
5
From page
1574
To page
1578
Abstract
We have studied the adsorption of O2 on the Cu(1 0 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
Oxidation , Oxygen , silver , Adsorption , computer simulations , Copper , Density functional calculations , Defects , Molecular dynamics
Journal title
Surface Science
Serial Year
2006
Journal title
Surface Science
Record number
1698050
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