Designing a descriptor for the computational screening of argyrodite-based solid-state superionic conductors: uniformity of ion-cage size
Byeongsun Jun, Sang Uck Lee
Abstract
The Li-ion conductivity is closely correlated with the uniformity of the 4a- and 4c-cages in Li argyrodites. This is a novel approach for tuning the composition of Li argyrodites with “composition–structure–property” relationships.
Topics & Concepts
Fast ion conductorElectrical conductorMaterials scienceIonConductivitySolid-stateCageComposition (language)Ionic conductivityChemical physicsChemistryComposite materialElectrodePhysical chemistryStructural engineeringEngineeringElectrolytePhilosophyOrganic chemistryLinguisticsAdvanced Battery Materials and TechnologiesAdvancements in Battery MaterialsInorganic Chemistry and Materials