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

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.