Step- versus kink-formation energies on Pt(111)

被引：17

作者：

Feibelman, PJ ^{[1
]}

机构：

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

来源：

SURFACE SCIENCE | 2000年 / 463卷 / 03期

关键词：

density functional calculations; platinum; surface structure; morphology; roughness; and topography;

D O I：

10.1016/S0039-6028(00)00633-6

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Ab initio kink-formation energies are about 0.25 and 0.18 eV on the (100)- and (111)-microfacet steps of Pt(111), while the sum of the step-formation energies is similar to 0.75 eV/atom. These results imply a specific ratio of formation energies for the two step types, namely 1.14, in excellent agreement with experiment. If kink-formation costs the same energy on the two step types, an inference recently drawn from scanning probe observations of step wandering, this ratio ought to be unity. (C) 2000 Elsevier Science B.V. All rights reserved.

引用

页码：L661 / L665

页数：5

共 25 条

[1] Step energetics of Pb(111) vicinal surfaces from facet shape (vol 424, pg 271, 1999) [J].