Initial stages of NH3 adsorption on Si(111) 7 x 7

被引：10

作者：

Ezzehar, H

Sonnet, P

Minot, C

Stauffer, L

机构：

[1] Lab Phys Spect Elect, F-68093 Mulhouse, France

[2] Chim Theor Lab, F-75252 Paris 05, France

来源：

SURFACE SCIENCE | 2000年 / 454卷

关键词：

semi-empirical models and model calculations; chemisorption; Surface structure; morphology; roughness; and topograph; silicon; ammonia;

D O I：

10.1016/S0039-6028(00)00161-8

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：

We present a theoretical study of the first stages of the ammonia chemisorption on Si(111)7 x 7. NH3 dissociates on this surface. In a first model, partial dissociation generating two radical species, NH2 and H, that adsorb on the surface dangling bonds is investigated. Our result shows an adsorption mechanism closely similar to that of water on Si(111)7 x 7. Further dissociation of NH3 is more favorable, A geometry with NI-I in a bridge position between an adatom and one of its backbond atoms seems to be more likely than the picture with NH saturating an Si dangling bond. (C) 2000 Elsevier Science B.V. All rights reserved.

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页码：358 / 362

页数：5

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