Title of article
On the electronic structure of the pure and oxygen covered Ru(0 0 0 1) surface
Author/Authors
Bester، نويسنده , , G. and Fنhnle، نويسنده , , M.، نويسنده ,
Issue Information
هفته نامه با شماره پیاپی سال 2002
Pages
6
From page
305
To page
310
Abstract
The bonding properties between the Ru atoms of a pure and of an oxygen covered Ru(0 0 0 1) surface are investigated by an analysis of ab initio band-structure data with the concept of the covalent bond energy. The results are consistent with the observed inward relaxation of the topmost Ru layer for the pure surface and the outward relaxation for the oxygen covered surface, and a reinterpretation of the outward relaxation is given.
Keywords
Surface relaxation and reconstruction , Chemisorption , Oxygen , Single crystal surfaces , Density functional calculations , Ruthenium
Journal title
Surface Science
Serial Year
2002
Journal title
Surface Science
Record number
1680955
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