Open AccessA DFT study of structural and electronic properties of anatase TiO2 phase with Ni and oxygen vacancies impurities
Author(s) -
S. Pari,
F.F.H. Aragón,
L. Villegas-Lelovsky,
D.G. Pacheco Salazar
Publication year - 2020
Language(s) - English
Resource type - Conference proceedings
DOI - 10.21826/viiiseedmol2020106
Subject(s) - materials science , supercell , density functional theory , lattice constant , pseudopotential , anatase , interstitial defect , impurity , nickel , dopant , condensed matter physics , crystallography , doping , computational chemistry , chemistry , diffraction , metallurgy , physics , optoelectronics , organic chemistry , photocatalysis , optics , catalysis , thunderstorm , biochemistry , oceanography , geology