The crystal chemistry of metal sulphide minerals is an important area of study with applications to the environment and to the extraction of metal ores. In this paper, we present an overview of computational modelling studies as applied to the bulk and surface properties of metal sulphides. The emphasis is on applications rather than techniques and in order to illustrate work in this field, we focus on the ZnS polymorphs, pyrite (FeS2) and phases with the galena (PbS) structure.
|Number of pages||15|
|Publication status||Published - 1 Jan 1998|