Theoretical design of Na-rich anti-perovskite as solid electrolyte: The effect of cluster anion in stability and ionic conductivity
Zheng Xu, Ying Liu, Xiao Sun, Xinyu Xie, Xiaoning Guan, Changcheng Chen, Pengfei Lu, Xiao‐Guang Ma
Topics & Concepts
Ionic conductivityElectrolyteFast ion conductorIonic bondingIonConductivityChemistryPerovskite (structure)Chemical physicsDensity functional theoryMolecular dynamicsInorganic chemistryElectrochemistryCluster (spacecraft)Band gapMaterials sciencePhysical chemistryCrystallographyComputational chemistryOrganic chemistryElectrodeComputer scienceProgramming languageOptoelectronicsAdvanced Battery Materials and TechnologiesThermal Expansion and Ionic ConductivityPerovskite Materials and Applications