Bandgap Engineering of Barium Bismuth Niobate Double Perovskite for Photoelectrochemical Water Oxidation. Issue 9 (22nd December 2016)

• Record Type: Journal Article
• Authors: Weng, Baicheng; Xiao, Zewen; Meng, Weiwei; Grice, Corey R.; Poudel, Tilak; Deng, Xunming; Yan, Yanfa
• Is Part Of: Advanced energy materials. Volume 7:Issue 9(2017)
• Page Start: n/a
• Page End: n/a
• Publication Date: 2016-12-22
• Subjects: bandgap engineering -- density‐functional theory calculations -- perovskite -- photoelectrochemical -- water splitting; Energy harvesting -- Materials -- Periodicals; Energy conversion -- Materials -- Periodicals; Energy storage -- Materials -- Periodicals; Photovoltaics -- Periodicals; Fuel cells -- Periodicals; Thermoelectric materials -- Periodicals; 621.31
• DOI: 10.1002/aenm.201602260
• Languages: English
• ISSNs: 1614-6832

Abstract

Abstract : Density‐functional theory (DFT) calculation reveals that the bandgap of barium bismuth niobate (Ba2 BiNbO6 ) 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.