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Article

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

Quirk, James A., Lazarov, Vlado K. orcid.org/0000-0002-4314-6865 and Mckenna, Keith P. orcid.org/0000-0003-0975-3626 (2020) First-Principles Modeling of Oxygen-Deficient Anatase TiO2Nanoparticles. Journal of Physical Chemistry C. 23637–23647. ISSN 1932-7455

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

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