Adsorption and energetics of isolated CO molecules on Pd(111)

被引：63

作者：

Sautet, P

Rose, MK

Dunphy, JC

Behler, S

Salmeron, M ^{[1
]}

机构：

[1] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA

[2] Ecole Normale Super Lyon, Chim Theor Lab, F-69364 Lyon 07, France

[3] Inst Rech Catalyse, CNRS, F-69626 Villeurbanne, France

来源：

SURFACE SCIENCE | 2000年 / 453卷 / 1-3期

关键词：

carbon monoxide; chemisorption; density functional calculations; palladium; scanning tunneling microscopy; semiempirical models and model calculations; single crystal surfaces;

D O I：

10.1016/S0039-6028(00)00243-0

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：

The adsorption of CO on Pd(111) has been studied with scanning tunneling microscopy in the very low coverage regime. Isolated CO molecules were imaged with two different corrugations of similar to 0.25 Angstrom and similar to 0.15 Angstrom, which are attributed to adsorption of the hcp and fee hollow sites. Total energy calculations reveal that these two sites are the most favorable ones. Calculated image profiles using the ESQC method agree well with the experimental corrugations. (C) 2000 Elsevier Science B.V. All rights reserved.

引用

页码：25 / 31

页数：7

共 17 条

[1] Dynamics of electron-induced manipulation of individual CO molecules on Cu(III) [J].