Abstract

A new photocatalyst LiCr(WO 4) 2 was synthesized via a polymer complex method and was characterized by X-ray diffraction, BET measurement, UV–vis diffuse reflectance spectra and photocatalytic experiments for H 2 and O 2 evolution. The crystal model of LiCr(WO 4) 2, including lattice constants and atomic position parameters, was obtained by Rietveld refinement of powder X-ray diffraction data. The photocatalytic evaluation measurements showed that LiCr(WO 4) 2 exhibits the ability for H 2 evolution from an aqueous methanol solution and for O 2 evolution from an aqueous AgNO 3 solution under ultraviolet and visible light irradiation. The mechanism for H 2 and O 2 evolution over LiCr(WO 4) 2 photocatalyst was further investigated by density functional theory calculations and was discussed from the view of electronic structure point.

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