Carlos L. Simmerling

Structural and Rheological Signatures of the Salt-in-Solvent to Solvent-in-Salt Transition in a Fluorinated Ester Electrolyte

Abstract Experimental measurements and molecular dynamics (MD) simulations study the structural and rheological properties of a model fluorinated ester electrolyte, methyl 3,3,3-trifluoropropionate (MTFP) with LiFSI, over a wide concentration range (0.1–2.3 mol/kg). MD simulation...