Electronic Properties of {112} and {110} Twin Boundaries in Anatase TiO2

Quirk, James A., Lazarov, Vlado K. orcid.org/0000-0002-4314-6865 and McKenna, Keith P. orcid.org/0000-0003-0975-3626 (2019) Electronic Properties of {112} and {110} Twin Boundaries in Anatase TiO2. Advanced Theory and Simulations. ISSN 2513-0390



Copyright, Publisher and Additional Information: © 2019 The Authors. Advanced Theory and Simulations published by WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim
Keywords: density functional theory,polarons,titanium dioxide,twin boundaries
  • Published (online): 9 October 2019
Institution: The University of York
Academic Units: The University of York > Faculty of Sciences (York) > Physics (York)
Depositing User: Pure (York)
Date Deposited: 15 Oct 2019 14:20
Last Modified: 01 Jun 2020 23:24
Published Version: https://doi.org/10.1002/adts.201900157
Status: Published online
Refereed: Yes
Identification Number: https://doi.org/10.1002/adts.201900157


Filename: Quirk_et_al_2019_Advanced_Theory_and_Simulations.pdf

Description: Quirk_et_al-2019-Advanced_Theory_and_Simulations

Licence: CC-BY 2.5

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