Electrolytes with the salt lithium bis(fluorosulfonyl)imide (LiFSI) have been evaluated relative to comparable electrolytes with other lithium salts. Acetonitrile (AN) has been used as a model electrolyte solvent. The information obtained from the thermal phase behavior, solvation/ionic association interactions, quantum chemical (QC) calculations and molecular dynamics (MD) simulations (with an APPLE&P many-body polarizable force field for the LiFSI salt) of the (AN)n-LiFSI mixtures provides detailed insight into the coordination interactions of the FSI- anions and the wide variability noted in the electrolyte transport property (i.e., viscosity and ionic conductivity).
Revised: January 15, 2015 |
Published: September 30, 2014
Citation
Han S.D., O. Borodin, D.M. Seo, Z.B. Zhou, and W.A. Henderson. 2014.Electrolyte Solvation and Ionic Association. V. Acetonitrile-Lithium Bis(fluorosulfonyl)imide (LiFSI) Mixtures.Journal of the Electrochemical Society 161, no. 14:A2042-A2053.PNNL-SA-104882.doi:10.1149/2.0101414jes