Effect of Ag doping on SnO2 sensing for detecting H2S: A first-principles study

First-principles calculations were performed to investigate the effect of Ag doping on SnO2 sensing of H2S with oxygen vacancy formation and oxygen species preadsorption. Ag preferentially substituted for Sn5c atoms, and Ag atoms were favorable for the generation of oxygen vacancies at O2c sites on the SnO2 (110) surface. The adsorbed O2 molecules dissociated on the Ag-doped SnO2 surface more easily because of the dopant catalysis, and the...