Nonthermally accessible phase for CO on the Si(100) surface

被引：30

作者：

Hu, DQ

Ho, W

Chen, XJ

Wang, S

Goddard, WA

机构：

[1] CORNELL UNIV,ATOM & SOLID STATE PHYS LAB,ITHACA,NY 14853

[2] CORNELL UNIV,CTR MAT SCI,ITHACA,NY 14853

[3] CALTECH,BECKMAN INST 13974,MAT & PROC SIMULAT CTR,PASADENA,CA 91125

来源：

PHYSICAL REVIEW LETTERS | 1997年 / 78卷 / 06期

关键词：

D O I：

10.1103/PhysRevLett.78.1178

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

A new phase BT-CO on Si(100), not accessible with thermal CO (which leads to the T-CO phase), has been observed using an energetic molecular beam of CO and characterized by first principles quantum chemical methods. The BT phase is composed of bridge (B) and terminal (T) sites; it is driven and stabilized by cooperative electrostatic interactions that result because B (T) binding leads to the transfer of charge away from (toward) the surface. Desorption of CO from the B site proceeds through the T configuration.

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页码：1178 / 1181

页数：4

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