Lithium oxidation and electrolyte decomposition at Li-metal/liquid electrolyte interfaces
Francisco Ospina‐Acevedo, Ningxuan Guo, Perla B. Balbuena
Abstract
We examine the evolution of events occurring when a Li metal surface is in contact with a 2 M solution of a Li salt, <italic>via</italic> classical molecular dynamics simulations with a reactive force field allowing bond breaking and bond forming.
Topics & Concepts
ElectrolyteLithium (medication)DecompositionMetalMolecular dynamicsSalt (chemistry)Chemical physicsLithium metalInorganic chemistryChemistryMaterials scienceChemical engineeringPhysical chemistryComputational chemistryElectrodeOrganic chemistryEndocrinologyEngineeringMedicineAdvanced Battery Materials and TechnologiesAdvancements in Battery MaterialsAdvanced Battery Technologies Research