Adsorption of ethyl xanthate on ZnS(110) surface in the presence of water molecules: A DFT study

- Adsorption of water molecules decreases the reactivity of surface Zn atom.
- Copper impurities decrease the band gap of ZnS surface.
- Copper impurities enhance the adsorption of xanthate on the ZnS surface.
- Water molecules have little influence on the properties of Cu-substituted ZnS surface.
- The xanthate S atom can interact with the surface S atom of Cu-substituted ZnS surface.