Author/Authors :
Jiang، نويسنده , , Zhenyi and Lin، نويسنده , , Yanming and Mei، نويسنده , , Ting and Hu، نويسنده , , Xiaoyun and Chen، نويسنده , , Wenzhou and Ji، نويسنده , , Ruonan and Liu، نويسنده , , Enzhou and Zhang، نويسنده , , Ruizhi and Zhang، نويسنده , , Liang and Zhang، نويسنده , , Qian and Zhou، نويسنده , , Bo and Zhang، نويسنده , , Dekai and Fan، نويسنده , , Jun and Zhu، نويسنده , , Haiyan and Zhang، نويسنده , , Xiaodong and Wan، نويسنده , , Shizhe، نويسنده ,
Abstract :
We calculated the electronic and optical properties of Eu-doped, N-doped, and (Eu,N)-codoped TiO2 using plane-wave pseudopotential method. The calculated results show that there are impurity levels of Eu 4f appearing in the band gap of Eu doping system, and N doping system can lead to narrowing of the band gap. Moreover, the synergistic effect of the Eu and N codoping TiO2 leads to lattice distortion, band gap narrowing. The optical absorption curves indicate that (Eu,N)-codoped system exhibits a significant red-shift of absorption edge, which enhances the visible-light photocatalytic activity.
Keywords :
TiO2 , Density functional theory , Codoping , Visible-light photocatalyst
