DFT and experimental studies of oxygen adsorption on galena surface bearing Ag, Mn, Bi and Cu impurities

•The influence of impurities on the electronic structure of galena surface was investigated by DFT.•Adsorption of O2 on galena surface bearing impurities were simulated by DFT.•The role of p-type and n-type in the adsorption of O2 on the galena surface was investigated.•Interaction of impurity atom orbital with O atom orbital has been analyzed by DFT.