Electronic band structures and photovoltaic properties of MWO4 (M=Zn, Mg, Ca, Sr) compounds

Divalent metal tungstates, MWO4, with wolframite (M=Zn and Mg) and scheelite (M=Ca and Sr) structures were prepared using a conventional solid state reaction method. Their electronic band structures were investigated by a combination of electronic band structure calculations and electrochemical measurements. From these investigations, it was found that the band structures (i.e. band positions and band gaps) of the divalent metal tungstates were significantly influenced by their crystal structural environments, such as the W-O bond length. Their photovoltaic properties were evaluated by applying to the working electrodes for dye-sensitized solar cells. The dye-sensitized solar cells employing the wolframite-structured metal tungstates (ZnWO4 and MgWO4) exhibited better performance than those using the scheelite-structured metal tungstates (CaWO4 and SrWO4), which was attributed to their enhanced electron transfer resulting from their appropriate band positions. (C) 2011 Elsevier Inc. All rights reserved.