Charge carrier transport dynamics in W/Mo-doped BiVO 4 : first principles-based mesoscale characterization

Pasumarthi, Viswanath; Liu, Taifeng; Dupuis, Michel; Li, Can

doi:10.1039/c8ta09899a

Title: Charge carrier transport dynamics in W/Mo-doped BiVO ₄ : first principles-based mesoscale characterization

Journal Article · Tue Jan 01 00:00:00 EST 2019 · Journal of Materials Chemistry. A

DOI:https://doi.org/10.1039/c8ta09899a· OSTI ID:1613102

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Department of Chemical and Biological Engineering; University at Buffalo; Buffalo NY; USA
National & Local Joint Engineering Research Center for Applied Technology of Hybrid Nanomaterials; Collaborative Innovation Center of Nano Functional Materials and Applications; Henan University; Kaifeng; China
Department of Chemical and Biological Engineering; University at Buffalo; Buffalo NY; USA; Computational and Data-Enabled Science and Engineering Program
Dalian National Laboratory for Clean Energy; Dalian Institute of Chemical Physics; Dalian; China; State Key Laboratory of Catalysis

First principles-based mesoscale characterization of electron transport in W/Mo-doped BiVO₄reveals the existence of “stabilization” regions around dopant sites. The stabilization regions decrease slightly the electron polaron mobility, albeit the overall electrode conductivity increases.

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Research Organization:: State Univ. of New York (SUNY), Albany, NY (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: SC0019086

OSTI ID:: 1613102

Journal Information:: Journal of Materials Chemistry. A, Vol. 7, Issue 7; ISSN 2050-7488

Publisher:: Royal Society of Chemistry

Country of Publication:: United States

Language:: English

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