Phase transition-induced band edge engineering of BiVO
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Jo-2015-Phase transition-ind.pdf
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Author(s)
Kang, Hyun Joon
Kong, Ki-Jeong
Park, Hunmin
Lee, Younghye
Gleason, Karen K.
Lee, Jae Sung
Jo, Won Jun
Lee, Yun Seog
Buonassisi, Anthony
Date Issued
October 2015
Journal
Proceedings of the National Academy of Sciences of the United States of America
Publisher
National Academy of Sciences (U.S.)
Citation
Jo, Won Jun et al. “Phase Transition-Induced Band Edge Engineering of BiVO 4 to Split Pure Water under Visible Light.” Proceedings of the National Academy of Sciences 112.45 (2015): 13774–13778. © 2015 National Academy of Sciences
Version
Final published version
Abstract
Through phase transition-induced band edge engineering by dual doping with In and Mo, a new greenish BiVO[subscript 4] (Bi[subscript 1-X]In[subscript X]V[subscript 1-X]Mo[subscript X]O[subscript 4]) is developed that has a larger band gap energy than the usual yellow scheelite monoclinic BiVO[subscript 4] as well as a higher (more negative) conduction band than H[superscript +]/H[subscript 2] potential [0 VRHE (reversible hydrogen electrode) at pH 7]. Hence, it can extract H[subscript 2] from pure water by visible light-driven overall water splitting without using any sacrificial reagents. The density functional theory calculation indicates that In[superscript 3+]/Mo[superscript 6+] dual doping triggers partial phase transformation from pure monoclinic BiVO[subscript 4] to a mixture of monoclinic BiVO[subscript 4] and tetragonal BiVO[subscript 4], which sequentially leads to unit cell volume growth, compressive lattice strain increase, conduction band edge uplift, and band gap widening.
MIT Department
Massachusetts Institute of Technology. Department of Chemical Engineering
Massachusetts Institute of Technology. Department of Mechanical Engineering
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DOI of Published Version
https://doi.org/10.1073/pnas.1509674112
