Electron leakage through heterogeneous LiF on lithium–metal battery anodes
Manuel Smeu, Kevin Leung
Abstract
transport. However, using the non-equilibrium Green's function technique with density functional theory (NEGF-DFT), we find that GBs enhance electron tunneling in thin LiF films by 1-2 orders of magnitude, depending on the bias. Extrapolating to thicker films using the Wentzel-Kramers-Brillouin (WKB) method emphasizes that safer batteries require passivation of GBs in the SEI.
Topics & Concepts
ElectrolyteAnodeLithium metalInterphaseBattery (electricity)Materials scienceLithium (medication)ElectronLeakage (economics)Inorganic chemistryMetalElectron transferLithium-ion batteryLithium vanadium phosphate batteryChemistryChemical engineeringElectrodeMetallurgyPhotochemistryPhysical chemistryPhysicsBiologyEndocrinologyQuantum mechanicsEngineeringMedicineMacroeconomicsGeneticsEconomicsPower (physics)Advancements in Battery MaterialsAdvanced Battery Materials and TechnologiesAdvanced Battery Technologies Research