Self-diffusion along step bottoms on Pt(111)

被引:38
作者
Feibelman, PJ [1 ]
机构
[1] Sandia Natl Labs, Albuquerque, NM 87185 USA
来源
PHYSICAL REVIEW B | 1999年 / 60卷 / 07期
关键词
D O I
10.1103/PhysRevB.60.4972
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
First-principles total energies of periodic vicinals are used to estimate barriers for Pt-adatom diffusion along straight and kinked steps on Pt(111), and around a corner where straight steps intersect. In all cases studied, hopping diffusion has a lower barrier than concerted substitution. In conflict with simulations of dendritic Pt island formation on Pt(111), hopping from a corner site to a step whose riser is a (111) microfacet is predicted to be more facile than to one whose riser is a (100). [S0163-1829(99)05331-X].
引用
收藏
页码:4972 / 4981
页数:10
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