Electronic structures and UV protection capacities of Cu-Fe codoped TiO2
FANG Wenyu1,2， ZHAO Jun1， LIU Chunjing1
1.School of Public Health and Management， Hubei University of Medicine， Shiyan， Hubei 442000， China；2.School of Science， Wuhan University of Technology， Wuhan 430070， China
Abstract：The electronic structures and optical properties of intrinisic， Cu， Fe and Cu-Fe doped TiO2 compounds are calculated using first-principles plane-wave ultrasoft pseudopotentiak method based on the density functional theory， respectively， and the anti-ultraviolet capability of the doped system is analyzed. The results show that Cu doping is p-doped and Fe doping is n-doped， which is able to enhance the carrier concentration of TiO2 and improve its electrical conductivity. After doping， the absorption edge of the semiconductor is redshifted， and the optical properties change mainly in the low energy area. When Cu-Fe co-doped， the doping system has a large absorption coefficient and reflectivity， which significantly reduces the ultraviolet transmittance and has a better anti-ultraviolet effect.
2019, Vol. 53 
