The adsorption and dissociation of ammonia on small Si clusters surface

被引：14

作者：

Qiu, M

Cao, PL ^{[1
]}

Que, DL

机构：

[1] Zhejiang Univ, Dept Phys, Hangzhou 310027, Peoples R China

[2] Zhejiang Univ, State Key Lab High Pur Silicon, Hangzhou 310027, Peoples R China

[3] China Ctr Adv Sci & Technol, World Lab, Beijing 100080, Peoples R China

来源：

SURFACE SCIENCE | 1998年 / 395卷 / 2-3期

基金：

中国国家自然科学基金;

关键词：

ammonia; chemisorption; cluster; dissociation; silicon; theoretical calculation;

D O I：

10.1016/S0039-6028(97)00630-4

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 nature of the NH3 molecule adsorption and dissociation on small Si clusters surface has been studied using the DV-X alpha method. We also present possible dissociation paths and their energy barriers of the adsorbed NH3 molecule, and confirm the view that NH3 cannot dissociate on the small Si cluster surfaces. (C) 1998 Published by Elsevier Science B.V.

引用

收藏

页码：260 / 267

页数：8

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