Raghav, Abhishek; Tri Hanindriyo, Adie; Utimula, Keishu; Abbasnejad, Mohaddeseh; Maezono, Ryo; Panda, Emila
(Elsevier, 2020-11)
In this work an overall electronic structure including the position and formation energies of various intrinsic defects are computed for anatase using Density Functional Theory aided by Hubbard correction (DFT + U). The ...