Relative photooxidation and photoreduction activities of the {100}, {101}, and {001} surfaces of anatase TiO2.

The photoredox ability of the TiO2 {100}, {101}, and {001} surfaces is investigated by examining the trapping energies, trapping sites, and relative oxidation and reduction potentials of simulated photogenerated holes and electrons in the form of more realistic polaronic states on the basis of density functional electronic structure calculations. Our… CONTINUE READING