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Superconcentrated electrolyte solutions are receiving increasing attention as a novel class of liquid electrolyte for secondary batteries because of their unusual and favorable characteristics, which arise from a unique solution structure with a very small number of free solvent molecules. The present theoretical study investigates the concentration dependence of the structural and dynamical properties of these electrolyte solutions for Na-ion batteries using large-scale quantum molecular dynamics simulations. Microscopic analysis of the dynamical properties of Na + ions reveals that ligand (solvent/anion) exchange reactions, an alternative diffusion pathway for Na + ions, are responsible for carrier ion diffusion in the superconcentrated conditions.
Okoshi et al. (2018) studied this question.
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