Molecular dynamics simulations for liquid electrolytes of propylene carbonate with LiTFSI, LiPF6, and LiBF4 salts
Edgar Núñez-Rojas, Ignacio González, Gregorio Guzmán‐González, José Alejandre
Topics & Concepts
Propylene carbonateIonic liquidElectrolyteHexafluorophosphateLithium (medication)Molecular dynamicsChemistryIonPolarizabilityTetrafluoroborateDielectricSolvationIntermolecular forceInorganic chemistryMoleculePhysical chemistryMaterials scienceComputational chemistryOrganic chemistryCatalysisElectrodeEndocrinologyOptoelectronicsMedicineAdvanced Battery Materials and TechnologiesIonic liquids properties and applicationsThermodynamic properties of mixtures