Electronic and optical performances of Si and Fe-codoped TiO2 nanoparticles: A photocatalyst for the degradation of methylene blue

- The bandgap of Si-doped TiO2 has a decline compared with pure TiO2.
- There are some impurity states (Fe 3d) appearing in the bandgap for Fe-doped TiO2.
- The synergistic effects of Si and Fe codoping TiO2 induces redshift of absorption edge.
- The reliability of calculated results are verified by our photocatalytic experiments.