Dynamical changes induced by perovskites (BaTiO3) in ionic liquid Lithium ion battery
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Recent study showed hybrid solid electrolyte (HSE), nanosize perovskite particles mixed with ionic liquid (IL), exhibits excellent flame retardancy, thermal stability and better ionic conductivity compared to pure IL electrolyte. However, the mechanism of high performance of HSE in ionic conductivity is yet be explained. In this work, HSE system (perovskite BaTiO3 (BTO), anion bis(trifluoromethane)sulfonamide (TFSI-) and cation 1-Butyl-1-methylpyrrolidinium (PYR14+)) is studied by molecular dynamics simulation. We found Li+ had unexpected large mobility near the BTO surface which lead to increase in its average mobility. By calculating transport properties and distribution, we found strong attraction between ions and crystal and decreased correlation between Li+ and counter ions. This study suggests high dielectric constant ionic crystals (such as SrTiO3, CaTiO3, MgSiO3, PbTiO3) can increase total Li+ mobility, one important factor to consider when developing solid electrolyte.