Keywords = Full-potential density functional theory
DFT Study on Oxygen-Vacancy Stability in Rutile/Anatase TiO2: Effect of Cationic Substitutions

Volume 6, Issue 3, September 2018, Pages 547-563

Seyed Mahmoud Esfandfard; Mohammad Reza Elahifard; Reza Behjatmanesh-Ardakani; Hadi Kargar

DFT Study on Oxygen-Vacancy Stability in Rutile/Anatase TiO2: Effect of Cationic Substitutions