Enhanced optical absorption and photocatalytic activity of anatase TiO_2 through (Si,Ni) codoping

摘要

The electronic and optical properties of (Si,Ni)-codoped anatase TiO_2 are investigated using the density functional theory. The calculated results indicate that the synergistic effects of (Si,Ni) codoping can effectively extend the optical absorption edge, which can lead to higher visible-light photocatalytic activity than pure anatase TiO_2. To verify the reliability of our calculated results, nanocrystalline (Si,Ni)-codoped TiO_2 is synthesized by a sol-gel-solvothermal method, and experimental results also show that the (Si,Ni)-codoped sample exhibits better absorption performance and higher photocatalytic activities than pure TiO_2.