The Electronic Structure and Optical Properties of Ag-Doped SnO2 Monolayer

Abstract

The electronic structure and optical properties of Ag-doped SnO2 monolayer are investigated using first-principles FLAPW method. The results show that Ag:SnO2 monolayer is a direct-gap semiconductor, and band gap becomes narrow. Several obvious optical absorption peaks are observed in low energy region in Ag-doped SnO2 monolayer. The (Ag,Vo) co-doped SnO2 monolayer has a wider impurity band and narrower gap. The optical spectrum edges shift to lower energy region and enhance visible and infrared photocatalytic activity. The absorb capacity become stronger in visible region with increasing Ag concentrations. These findings can be utilized in producing new-style solar cell and light sensor.