Effects of Forbidden Bandwidth and Optical Absorption Coeffcient on Photocatalytic Ability of TiO2

The effects of band structure and optical properties of TiO2 doped Ag+,Fe3+,Pt4+,La3+ ions were analyzed by using Materials Studio.The molecular simulation shows that metallic ion doping can make the forbidden bandwidth of TiO2 narrow,the absorption wavelength of TiO2 red-shift,and the optical absorption coefficient increase in the same light condition.The changes affect the photocatalytic ability of TiO2.Under 254 nm UV light,TiO2 shows the best photocatalytic ability when the forbidden bandwidth is 1.09 eV,and the higher optical absorption coefficient.