Thomas R. Durrant

Relation between image charge and potential alignment corrections for charged defects in periodic boundary conditions

Thomas R. Durrant, Samuel T. Murphy, Matthew B. Watkins et al. · The Journal of Chemical Physics · 2018 · 74 citations · Full text

Engineering, Computational Chemistry, Cubic Supercells +17

Defects in WS₂ monolayer calculated with a nonlocal functional: any difference from GGA?

Daria Kieczka, Thomas R. Durrant, Katherine Milton et al. · Electronic Structure · 2023 · 23 citations · Full text

Materials Science, Oxide Heterostructures, Semiconductors +14

Role of electron localization in density functionals

M. J. P. Hodgson, J. D. Ramsden, Thomas R. Durrant et al. · Physical Review B · 2014 · 19 citations · Full text

Role of long-range exact exchange in polaron charge transition levels: The case of MgO

Dahvyd Wing, Jack Strand, Thomas R. Durrant et al. · Physical Review Materials · 2020 · 15 citations

Charge Excitations, Engineering, Computational Chemistry +17

Difference in Structure and Electronic Properties of Oxygen Vacancies in α-Quartz and α-Cristobalite Phases of SiO2

Katherine Milton, Thomas R. Durrant, Teofilo Cobos Freire et al. · Materials · 2023 · 14 citations · Full text

Oxygen Vacancies, Engineering, Solid-state Chemistry +17