Fundamental understanding of oxygen vacancy energetics in rocksalt Mg(CuNiCoZn)O high entropy oxide from DFT and experiments
Oriyomi Opetubo, Ting Shen, Rajendra K. Bordia, Dilpuneet S. Aidhy
Topics & Concepts
EnergeticsMaterials scienceVacancy defectOxygenOxideDensity functional theoryThermodynamicsCondensed matter physicsCrystallographyChemical physicsMetallurgyComputational chemistryPhysicsChemistryQuantum mechanicsElectronic and Structural Properties of OxidesMagnetic and transport properties of perovskites and related materialsTransition Metal Oxide Nanomaterials