A first-principles study of the proton and oxygen migration behavior in the rare-earth perovskite SmNiO3
Chunfeng Lan, Huanhuan Li, Shuai Zhao
Topics & Concepts
Perovskite (structure)Chemical physicsMaterials scienceSamariumDiffusionIonic bondingProtonOxideConductivityIonic conductivityDensity functional theoryOxygenCondensed matter physicsIonPhysical chemistryInorganic chemistryThermodynamicsChemistryComputational chemistryElectrodeCrystallographyPhysicsMetallurgyQuantum mechanicsOrganic chemistryElectrolyteAdvancements in Solid Oxide Fuel CellsMagnetic and transport properties of perovskites and related materialsElectronic and Structural Properties of Oxides