Bandgap Engineering of Barium Bismuth Niobate Double Perovskite for Photoelectrochemical Water Oxidation

Density-functional theory (DFT) calculation reveals that the bandgap of barium bismuth niobate (Ba2BiNbO6) double-perovskite oxide can be effectively narrowed if the oxide is made Bi-rich and Nb-poor. Material synthesis and characterization confirm the predictions from DFT calculation. The results of this study suggest a new strategy for bandgap engineering of metal oxides toward active photoanodes for efficient water-splitting applications. As a service to our authors and readers, this journal provides supporting information supplied by the authors. Such materials are peer reviewed and may be re-organized for online delivery, but are not copy-edited or typeset. Technical support issues arising from supporting information (other than missing files) should be addressed to the authors. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.