CALiSol-23: Experimental electrolyte conductivity data for various Li-salts and solvent combinations

Abstract

AbstractIon transport in non-aqueous electrolytes is crucial for high performance lithium-ion battery (LIB) development. The design of superior electrolytes requires extensive experimentation across the compositional space. To support data driven accelerated electrolyte discovery efforts, we curated and analyzed a large dataset covering a wide range of experimentally recorded ionic conductivities for various combinations of lithium salts, solvents, concentrations, and temperatures. The dataset is named as ’Conductivity Atlas for Lithium salts and Solvents’ (CALiSol-23). Comprehensive datasets are lacking but are critical to building chemistry agnostic machine learning models for conductivity as well as data driven electrolyte optimization tasks. CALiSol-23 was derived from an exhaustive review of literature concerning experimental non-aqueous electrolyte conductivity measurement. The final dataset consists of 13,825 individual data points from 27 different experimental articles, in total covering 38 solvents, a broad temperature range, and 14 lithium salts. CALiSol-23 can help expedite machine learning model development that can help in understanding the complexities of ion transport and streamlining the optimization of non-aqueous electrolyte mixtures.