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

Abstract

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.

Authors:
 [1];  [1];  [1];  [1];  [1];  [1];  [1]
  1. Department of Physics and Astronomy and Center for Photovoltaics Innovation and Commercialization, The University of Toledo, Toledo OH 43606 USA
Publication Date:
Research Org.:
Lawrence Berkeley National Laboratory-National Energy Research Scientific Computing Center (NERSC); Univ. of California, Oakland, CA (United States)
Sponsoring Org.:
USDOE Office of Energy Efficiency and Renewable Energy (EERE), Fuel Cell Technologies Office (EE-3F); USDOE Office of Science (SC)
OSTI Identifier:
1543464
DOE Contract Number:  
AC02-05CH11231
Resource Type:
Journal Article
Journal Name:
Advanced Energy Materials
Additional Journal Information:
Journal Volume: 7; Journal Issue: 9; Journal ID: ISSN 1614-6832
Publisher:
Wiley
Country of Publication:
United States
Language:
English
Subject:
Chemistry; Energy & Fuels; Materials Science; Physics

Citation Formats

Weng, Baicheng, Xiao, Zewen, Meng, Weiwei, Grice, Corey R., Poudel, Tilak, Deng, Xunming, and Yan, Yanfa. Bandgap Engineering of Barium Bismuth Niobate Double Perovskite for Photoelectrochemical Water Oxidation. United States: N. p., 2016. Web. doi:10.1002/aenm.201602260.
Weng, Baicheng, Xiao, Zewen, Meng, Weiwei, Grice, Corey R., Poudel, Tilak, Deng, Xunming, & Yan, Yanfa. Bandgap Engineering of Barium Bismuth Niobate Double Perovskite for Photoelectrochemical Water Oxidation. United States. doi:10.1002/aenm.201602260.
Weng, Baicheng, Xiao, Zewen, Meng, Weiwei, Grice, Corey R., Poudel, Tilak, Deng, Xunming, and Yan, Yanfa. Thu . "Bandgap Engineering of Barium Bismuth Niobate Double Perovskite for Photoelectrochemical Water Oxidation". United States. doi:10.1002/aenm.201602260.
@article{osti_1543464,
title = {Bandgap Engineering of Barium Bismuth Niobate Double Perovskite for Photoelectrochemical Water Oxidation},
author = {Weng, Baicheng and Xiao, Zewen and Meng, Weiwei and Grice, Corey R. and Poudel, Tilak and Deng, Xunming and Yan, Yanfa},
abstractNote = {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.},
doi = {10.1002/aenm.201602260},
journal = {Advanced Energy Materials},
issn = {1614-6832},
number = 9,
volume = 7,
place = {United States},
year = {2016},
month = {12}
}

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