Mo- and N-doped BiNbO4 for photocatalysis applications

The electronic structure of pure BiNbO4 has been calculated and their electronic band positions have been aligned with respect to the water oxidation/reduction potential. The effect of cationic (Mo), anionic (N), and co-doping (Mo-N) on BiNbO4 has been studied and discussed with respect to the standard redox potential levels. Our results show that co-doping of Mo and N in BiNbO4 reduces the band gap up to 31.8%, thus making it a potential candidate for the photocatalysis of water for hydrogen production. The relative stability between the mono-and co-doped BiNbO4 materials show that co-doped material is more stable and feasible in comparison to the mono-doped materials. (C) 2011 American Institute of Physics. [doi:10.1063/1.3622659]