Cluster models of the dissociation of water on the surface of galena (PbS)

被引：36

作者：

Wright, K

Hillier, IH

Vaughan, DJ

Vincent, MA

机构：

[1] Univ Manchester, Dept Earth Sci, Manchester M13 9PL, Lancs, England

[2] Univ Manchester, Dept Chem, Manchester M13 9PL, Lancs, England

来源：

CHEMICAL PHYSICS LETTERS | 1999年 / 299卷 / 06期

基金：

英国工程与自然科学研究理事会;

关键词：

D O I：

10.1016/S0009-2614(98)01312-8

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：

Cluster models have been used to investigate the reaction of water on the surface of PbS (galena). The results from both semi-empirical and ab initio levels of theory suggest that on a perfect {001} surface, water is a stable species and dissociation does not occur. However, at a small step-like feature the reaction PbS + H2O --> Pb(OH)(+) + HS- is exothermic with a sufficiently low barrier that a facile reaction occurs at ambient temperature. (C) 1999 Elsevier Science B.V. All rights reserved.

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收藏

页码：527 / 531

页数：5

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