Insights into the intermolecular interactions and temperature-concentration dependence of transport in ionic liquid-based EMI–TFSI/LiTFSI electrolytes
Citra Deliana Dewi Sundari, Atthar Luqman Ivansyah, Octia Floweri, I Made Arcana, Ferry Iskandar
Abstract
DFT calculations and MD simulations show that the EMI–TFSI/LiTFSI system is stabilized by strong nonbonded attractions, and the lithium-ion conductivity depends on the LiTFSI concentration and system temperature.
Topics & Concepts
ChemistryIntermolecular forceElectrolyteIonic liquidEMIIonic bondingInorganic chemistryChemical physicsOrganic chemistryComputational chemistryIonPhysical chemistryMoleculeElectromagnetic interferenceCatalysisElectrodeComputer scienceTelecommunicationsAdvancements in Battery MaterialsAdvanced Battery Materials and TechnologiesIonic liquids properties and applications