Predicting the Na<sup>+</sup> ion transport properties of NaSICON materials using density functional theory and Kinetic Monte Carlo
Judith Schuett, Antonia S. Kuhn, Steffen Grieshammer
Abstract
The efficiency of all-solid-state Na + ion batteries crucially depends on the applied electrolyte, among which sodium super ionic conductors (NaSICONs) show high ionic conductivities.
Topics & Concepts
Fast ion conductorMonte Carlo methodIonic bondingElectrolyteIonIonic conductivityKinetic energyDensity functional theoryMaterials scienceSodiumKinetic Monte CarloThermodynamicsChemical physicsChemistryPhysical chemistryComputational chemistryPhysicsElectrodeMathematicsStatisticsMetallurgyQuantum mechanicsOrganic chemistryAdvancements in Battery MaterialsAdvanced Battery Materials and TechnologiesThermal Expansion and Ionic Conductivity