Large Variations in the Composition of Ionic Liquid-Solvent Mixtures in Nanoscale Confinement.

ABSTRACT: Mixtures of an ionic liquid with an organic solvent are widely used as electrolytes in supercapacitors where they are often confined in porous electrodes with pore widths only slightly larger than the sizes of bare ions or solvent molecules. The composition of the electrolyte inside these pores, which may depend on the pore width and choice of electrolyte, can affect supercapacitor performance but remains poorly understood. Here, we perform all-atom molecular dynamics simulations of solutions of two different ionic liquids in acetonitrile under confinement between graphene sheets forming slit pores of various widths. We observe significant oscillations in the in-pore ionic liquid mole fraction with varying pore widths. Ions are excluded from very narrow pores, while for pore widths that ti

SUBMITTER: Fang A 

PROVIDER: S-EPMC6761308 | biostudies-literature | 2019 Jul

REPOSITORIES: biostudies-literature