Author/Authors :
Wright، نويسنده , , Kate and Hillier، نويسنده , , Ian H and Vaughan، نويسنده , , David Bryant and Vincent Berry، نويسنده , , Mark A، نويسنده ,
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.
