Interpretation of O binding-site preferences on close-packed group-VIII metal surfaces

被引：11

作者：

Feibelman, PJ ^{[1
]}

机构：

[1] Sandia Natl Labs, Albuquerque, NM 87185 USA

来源：

PHYSICAL REVIEW B | 1999年 / 59卷 / 03期

关键词：

D O I：

10.1103/PhysRevB.59.2327

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Screening of O atoms adsorbed on transition metals is accomplished in part by d-electron redistribution in near-surface, inter-metal-layer bonds. First-principles calculations imply that this is the source of O's preferences for fee adsorption sites on Pt(lll) and hcp hollows on Ru(0001). In both instances, O prefers the site for which screening weakens interlayer bonds the least. Which site this is depends on whether the d states repopulated by screening are nonbonding or antibonding. [S0163-1829(98)07048-9].

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页码：2327 / 2331

页数：5

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