Formation and diffusion of S-decorated Cu clusters onc Cu(111)

被引：81

作者：

Feibelman, PJ ^{[1
]}

机构：

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

来源：

PHYSICAL REVIEW LETTERS | 2000年 / 85卷 / 03期

关键词：

D O I：

10.1103/PhysRevLett.85.606

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

S-decorated Cu trimers are a likely agent of S-enhanced Cu transport between islands on Cu(111). According to nb initio calculations, excellent S bonding to trimer-Cu dangling valence results in an ad-Cu3S3 formation energy of only similar to 0.28 eV, compared to 0.79 eV for a self-adsorbed Cu atom, and a diffusion barrier less than or equal to 0.35 eV.

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页码：606 / 609

页数：4

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