Towards higher electrochemical stability of electrolytes: lithium salt design through <i>in silico</i> screening
Dale A. Osborne, Michael Breedon, Thomas Rüther, Michelle J. S. Spencer
Abstract
Systematic structural changes to the functional groups of sulfonimide anions can be used to improve the calculated oxidation potential, reductive stability, lithium binding energy and lithium-anion coordination for application in lithium-metal batteries.
Topics & Concepts
Lithium (medication)ElectrochemistryElectrolyteSalt (chemistry)Lithium metalChemistryIn silicoInorganic chemistryMetalIonMaterials scienceElectrodeOrganic chemistryPhysical chemistryBiochemistryGeneMedicineEndocrinologyAdvanced Battery Materials and TechnologiesAdvancements in Battery MaterialsThermal Expansion and Ionic Conductivity