Theoretical and Experimental Studies on Electronic Structure and Optical Properties of Bi-doped Anatase TiO2

Abstract In this paper, Bi-doped TiO2 was prepared by electrochemical method. XRD results show that the crystal structure was not changed after Bi doping. All of them were anatase TiO2. And there were no strontium peak. The microscopic morphology of the nanotube has little effect. The optical property test results show that the Bi doping causes a significant red shift of anatase TiO2, which promotes light absorption in the visible range. This is consistent with the theoretical results. The band gap of pure anatase TiO2 calculated by GGA+U method is 3.22eV. After Bi enters the lattice, it will introduce impurity level in the TiO2 bandgap and reduce the band gap of TiO2.