Raghav, Abhishek; Hongo, Kenta; Maezono, Ryo; Panda, Emila
(Cornell University Library, 2022-05)
In this work, electronic structure of several doped TiO2 anatase systems is computed using DFT+U. Effective masses of charge carriers are also computed to quantify how the dopant atoms perturb the bands of the host anatase ...