Ti~(4+)-, Nb~(5+)-, Ta~(5+)-, Ga~(3+)-, In~(3+)-based oxysulfides functioned as visible-light driven photocatalysts in the presence of sacrificial reagents. Although sulfides are not stable for oxidizing water, these oxysulfides can oxidize water to form O2. DFT calculations suggested that tops of valence bands for the presented oxysulfides consist of the O2p and S3p hybridized orbitals. Therefore, the photocatalytic activities of oxysulfides would reflect their particular electronic band structures compared with those of sulfides.
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