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          Institute: Fritz-Haber-Institut     Collection: Theory     Display Documents



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ID: 282604.0, Fritz-Haber-Institut / Theory
Density-functional theory investigation of oxygen adsorption at Pd(11N) vicinal surfaces (N=3,5,7): Influence of neighboring steps
Authors:Zhang, Yongsheng; Rogal, Jutta; Reuter, Karsten
Language:English
Date of Publication (YYYY-MM-DD):2006-09-15
Title of Journal:Physical Review B
Volume:74
Start Page:125414-1
End Page:125414-9
Review Status:Peer-review
Audience:Experts Only
Abstract / Description:We present a density-functional theory study addressing the on-surface adsorption of oxygen at the Pd(11N)(N=3,5,7) vicinal surfaces, which exhibit (111) steps and (100) terraces of increasing width. We find the binding to be pedominantly governed by the local coordination at the adsorption site. This leads to very similar bonding properties at the threefold step sites of all three vicinal surfaces, while the binding at the central fourfold hollow site in the four atomic row terrace of Pd(117) is already very little disturbed by the presence of the neighboring steps.
External Publication Status:published
Document Type:Article
Communicated by:Matthias Scheffler
Affiliations:Fritz-Haber-Institut/Theory
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282604.pdf  [393,00 Kb] [Comment:arXiv:cond-mat/0606033v1 [cond-mat.mtrl-sci]]  
 
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