MD and DFT simulations indicate FEME, a fluorinated ether, solvates Li+ more weakly than DPE, producing anion-rich lithium aggregates even at 1 M LiFSI, unlike the carbonate benchmark.
Xu, Chemical reviews, 2004, 104, 4303–4418
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Computational Study of Li+ Solvation Structures in Fluorinated Ether, Non-Fluorinated Ether, and Organic Carbonate-Based Electrolytes at Low and High Salt Concentrations
MD and DFT simulations indicate FEME, a fluorinated ether, solvates Li+ more weakly than DPE, producing anion-rich lithium aggregates even at 1 M LiFSI, unlike the carbonate benchmark.