Correlating Solvation Free Energy to Electrolyte Properties for Lithium Metal Batteries

• DOI: 10.1021/acs.nanolett.4c04991
• Publication Date: 2025-03-17T05:11:12Z
• Authors: Sang Cheol Kim; Jou-An Pan; Aditya Shah; Yuelang Chen; Hyunchang Park; Yufei Yang; Wenbo Zhang; Louisa C. Greenburg; Tomi Sogade; Alex Chen; Jian Qin; Zhenan Bao; Yi Cui
• Keywords: Lithium metal

The electrolyte plays a critical role in lithium metal batteries. In particular, ion solvation profoundly impacts key properties and battery performance. this study, we systematically investigate solvation-property relationships series of electrolytes with different solvent-diluent ratios. Through potentiometric techniques that measure the relative free energies electrolytes, find weaker correlates larger clusters, lower ionic conductivity diffusion coefficient, superior electrochemical stability. Weaker leads to formation small number Li clusters large hydrodynamic radii, which lowers Li+ diffusivity electrolyte. Concurrently, improved stability at both cathode anode interfaces. Understanding these trade-offs is important designing for optimized