Hole Polaron Migration in Bulk Phases of TiO2 Using Hybrid Density Functional Theory

Carey, John J., Quirk, James A. and McKenna, Keith P. orcid.org/0000-0003-0975-3626 (2021) Hole Polaron Migration in Bulk Phases of TiO2 Using Hybrid Density Functional Theory. Journal of Physical Chemistry C. pp. 12441-12450. ISSN 1932-7455

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Item Type: Article
Authors/Creators:
Copyright, Publisher and Additional Information:

© 2021 The Authors
Dates:
  • Published: 10 June 2021
  • Published (online): 27 May 2021
  • Accepted: 13 May 2021
Institution: The University of York
Academic Units: The University of York > Faculty of Sciences (York) > Physics (York)
Funding Information:
Funder
Grant number
EPSRC
EP/P006051/1
EPSRC
EP/P023843/1
EPSRC
EP/K003151/1
Depositing User: Pure (York)
Date Deposited: 02 Sep 2021 14:30
Last Modified: 05 Jan 2025 00:31
Published Version: https://doi.org/10.1021/acs.jpcc.1c03136
Status: Published
Refereed: Yes
Identification Number: 10.1021/acs.jpcc.1c03136
Open Archives Initiative ID (OAI ID):

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