Universal ion-transport descriptors and classes of inorganic solid-state electrolytes
Cibrán López, Agustí Emperador, Edgardo Saucedo, Riccardo Rurali, Claudio Cazorla
Abstract
-means clustering analyses show that elastic and vibrational descriptors, rather than the usual ones related to chemical composition and ion mobility, are best suited for reducing the high complexity of SSEs and classifying them into universal classes. Our findings highlight the need for considering databases that incorporate temperature effects to improve our understanding of SSEs and point towards a generalized approach to the design of energy materials.
Topics & Concepts
ElectrolyteAb initioSolid-stateIonMaterials scienceChemical physicsFast ion conductorZero temperatureComputational chemistryThermodynamicsPhysical chemistryChemistryCondensed matter physicsPhysicsOrganic chemistryElectrodeAdvanced Battery Materials and TechnologiesFuel Cells and Related MaterialsSolid-state spectroscopy and crystallography