Sodium diffusion in ionic liquid-based electrolytes for Na-ion batteries: the effect of polarizable force fields
Arianna Massaro, Jocasta Ávila, Kateryna Goloviznina, Ivan Rivalta, Claudio Gerbaldi, Michele Pavone, Margarida Costa Gomes, Agı́lio A. H. Pádua
Abstract
pyr][FSI] electrolyte. The validation of the computational results upon comparison with experimental data allows us to assess the suitability of polarizable force fields in describing and interpreting the structure and dynamics of the sodium salt-ionic liquid system, which is essential to enable the application of IL-based electrolytes in novel energy-storage technologies.
Topics & Concepts
Ionic liquidElectrolyteIonPolarizabilityDiffusionSodiumChemical physicsIonic bondingChemistryInorganic chemistryThermodynamicsChemical engineeringMaterials sciencePhysical chemistryPhysicsOrganic chemistryMoleculeElectrodeEngineeringCatalysisAdvanced Battery Materials and TechnologiesIonic liquids properties and applicationsAdvancements in Battery Materials