Quantum treatment of H adsorbed on a Pt(111) surface -: art. no. 033406

被引：22

作者：

Källén, G

Wahnström, G

机构：

[1] Chalmers, Dept Appl Phys, SE-41296 Gothenburg, Sweden

[2] Gothenburg Univ, SE-41296 Gothenburg, Sweden

来源：

PHYSICAL REVIEW B | 2002年 / 65卷 / 03期

关键词：

D O I：

10.1103/PhysRevB.65.033406

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

A static potential energy surface for 1/4 of a monolayer of adsorbed hydrogen atoms on a Pt(111) surface has been calculated using first-principles density-functional theory calculations. The Schrodinger equation is solved for the hydrogen atoms in this potential. The results agree well with stable site, vibrational spectroscopy, and diffusion measurements, and resolve the conflicting interpretations of those experiments.

引用

页码：1 / 4

页数：4

共 26 条

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