Electronic and photonic behavior of (Fe or Co)-C codoped TiO2 mediated by H ions: First principles calculations

- The carrier mobility in impurity levels increased after the H atom being introduced into.
- The impurity levels not only reduce the electronic transition energies but also suppress the electron-hole recombination rate.
- The Co-C-2H codoped TiO2 may have the best photocatalytic activity than pure TiO2 under visible-light excitation.