Unlocking the chemical space in anti-perovskite conductors by incorporating anion rotation dynamics
Chaohong Guan, Yu Yang, Runxin Ouyang, Huirong Jing, Jieqiong Yan, Guoyao Li, Huanan Duan, Hong Zhu
Topics & Concepts
Ionic conductivityChemical physicsMaterials scienceFast ion conductorConductivityPerovskite (structure)Ionic bondingIonCluster (spacecraft)Molecular dynamicsElectrolyteDensity functional theoryLithium (medication)Ionic liquidInorganic chemistryComputational chemistryPhysical chemistryCrystallographyChemistryCatalysisOrganic chemistryElectrodeComputer scienceMedicineProgramming languageEndocrinologyAdvanced Battery Materials and TechnologiesAdvancements in Battery MaterialsThermal Expansion and Ionic Conductivity