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

First principles-based mesoscale characterization of electron transport in W/Mo-doped BiVO 4 reveals the existence of “stabilization” regions around dopant sites. The stabilization regions decrease slightly the electron polaron mobility, albeit the overall electrode conductivity increases.
Authors:
ORCiD logo [1] ; ORCiD logo [2] ; ORCiD logo [3] ; ORCiD logo [4]
  1. Department of Chemical and Biological Engineering, University at Buffalo, Buffalo NY, USA
  2. 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
  3. Department of Chemical and Biological Engineering, University at Buffalo, Buffalo NY, USA, Computational and Data-Enabled Science and Engineering Program
  4. Dalian National Laboratory for Clean Energy, Dalian Institute of Chemical Physics, Dalian, China, State Key Laboratory of Catalysis
Publication Date:
Grant/Contract Number:
SC0019086
Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Materials Chemistry A
Additional Journal Information:
Journal Name: Journal of Materials Chemistry A; Journal ID: ISSN 2050-7488
Publisher:
Royal Society of Chemistry (RSC)
Sponsoring Org:
USDOE
Country of Publication:
United Kingdom
Language:
English
OSTI Identifier:
1484539

Pasumarthi, Viswanath, Liu, Taifeng, Dupuis, Michel, and Li, Can. Charge carrier transport dynamics in W/Mo-doped BiVO 4 : first principles-based mesoscale characterization. United Kingdom: N. p., Web. doi:10.1039/C8TA09899A.
Pasumarthi, Viswanath, Liu, Taifeng, Dupuis, Michel, & Li, Can. Charge carrier transport dynamics in W/Mo-doped BiVO 4 : first principles-based mesoscale characterization. United Kingdom. doi:10.1039/C8TA09899A.
Pasumarthi, Viswanath, Liu, Taifeng, Dupuis, Michel, and Li, Can. 2019. "Charge carrier transport dynamics in W/Mo-doped BiVO 4 : first principles-based mesoscale characterization". United Kingdom. doi:10.1039/C8TA09899A.
@article{osti_1484539,
title = {Charge carrier transport dynamics in W/Mo-doped BiVO 4 : first principles-based mesoscale characterization},
author = {Pasumarthi, Viswanath and Liu, Taifeng and Dupuis, Michel and Li, Can},
abstractNote = {First principles-based mesoscale characterization of electron transport in W/Mo-doped BiVO 4 reveals the existence of “stabilization” regions around dopant sites. The stabilization regions decrease slightly the electron polaron mobility, albeit the overall electrode conductivity increases.},
doi = {10.1039/C8TA09899A},
journal = {Journal of Materials Chemistry A},
number = ,
volume = ,
place = {United Kingdom},
year = {2019},
month = {1}
}

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