Presentation Information
[22p-A501-13]Photo excitation effect on electronic structures of H atoms on TiO2 with O vacancy
〇Koichi Kato1, Katsuyuki Fukutani1 (1.IIS Tokyo Univ.)
Keywords:
hydrogen,TiO2,photocatalyst
TiO2 is well known as a photocatalyst to generate a H2 molecule from water. By generating O atom vacancies in TiO2, the photocatalyst efficiency can be strongly enhanced. Through first principles calculations, the electronic structures of TiO2 with O vacancies are clarified. The electronic structure changes of H atoms on TiO2 are also discussed.