Electronic structure, polaron formation, and functional properties in transition-metal tungstates

Transition-metal tungstates MWO4 (M = Co, Ni, Cu, Zn) have applications in many areas, including supercapacitors. A good understanding of the electronic structure is essential to understanding their functional properties. Here, we report a first-principles study of the materials using hybrid density-functional calculations. The electronic structure is… (More)