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

Kate Wright, Ian H. Hillier, David J. Vaughan, Mark A. Vincent

Research output: Contribution to journalArticlepeer-review

31 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)527-531
Number of pages5
JournalChemical Physics Letters
Volume299
Issue number6
DOIs
Publication statusPublished - 22 Jan 1999
Externally publishedYes

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