Preparation and photocatalytic property of LiCr(WO4)2

A new photocatalyst LiCr(WO4)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 H2 and O2 evolution. The crystal model of LiCr(WO4)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(WO4)2 exhibits the ability for H2 evolution from an aqueous methanol solution and for O2 evolution from an aqueous AgNO3 solution under ultraviolet and visible light irradiation. The mechanism for H2 and O2 evolution over LiCr(WO4)2 photocatalyst was further investigated by density functional theory calculations and was discussed from the view of electronic structure point.