Formation and thermodynamic stability of oxygen vacancies in typical cathode materials for Li-ion batteries: Density functional theory study
Wei Hu, Hewen Wang, Wenwei Luo, Bo Xu, Chuying Ouyang
Topics & Concepts
Vacancy defectSpinelDensity functional theoryIonOxygenCathodePartial pressureMaterials scienceChemical stabilityChemical physicsThermodynamicsInorganic chemistryChemistryPhysical chemistryComputational chemistryCrystallographyMetallurgyOrganic chemistryPhysicsAdvancements in Battery MaterialsAdvanced Battery Materials and TechnologiesSemiconductor materials and devices