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Electronic conductivity of polymer electrolytes: electronic charge transport properties of LiTFSI-doped PEO

Mikael Unge, Harish Gudla, Chao Zhang, Daniel Brandell

2020Physical Chemistry Chemical Physics43 citationsDOIOpen Access PDF

Abstract

The electronic structure of poly(ethyleneoxide) with and without a common electrolyte lithium bis(trifluoromethane)sulfonimide salt is calculated from first principles. Introducing the salt into the polymer electrolyte significantly reduces the band gap, down to 0.6 eV. Thus, this will have a significant impact on the leakage currents in polymer electrolytes used in all-solid-state batteries.

Topics & Concepts

ConductivityPolymer electrolytesElectrolyteDopingMaterials sciencePolymerCharge (physics)Chemical physicsChemistryIonic conductivityPhysical chemistryPhysicsOptoelectronicsComposite materialElectrodeQuantum mechanicsConducting polymers and applicationsAdvanced Battery Materials and TechnologiesAdvancements in Battery Materials