Electronic structure and visible light photocatalysis water splitting property of chromium-doped SrTiO3

Cr-doped SrTi1-xCrxO3 (x = 0.00, 0.02, 0.05, 0.10) powders, prepared by solvothermal method, were further characterized by ultraviolet visible (UV-vis) absorption spectroscopy. The UV-vis spectra indicate that the SrTi1-xCrxO3 powders can absorb not only UV light like pure SrTiO3 powder but also the visible-light spectrum (lambda > 420 nm). The results of density functional theory (DFT) calculation illuminate that the visible-light absorption bands in the SrTi1-xCrxO3 catalyst are attributed to the band transition from the Cr 3d to the Cr 3d+ Ti 3d hybrid orbital. The photocatalytic activities of chromium-doped SrTiO3 both under UV and visible light are increased with the increase in the amounts of chromium. (c) 2006 Elsevier Inc. All rights reserved.