Structure and Dynamics of a Nanoconfined Ionic Liquid

Ionic liquids are of great interest because of their potential use in electrochemical systems such as batteries and supercapacitors. In this work, the structure and dynamics of the ionic liquid [bmim][tfsa] nanoconfined in various carbon pores was studied using fully atomistic molecular dynamics simulations. The dynamics and structure of the first adsorbed layer were of particular interest as a nearly immobile densified layer is found at the pore walls. Furthermore, the effect of various pore geometries on the structure of this layer was studied as well as the change of the liquid diffusion inside the pores. The simulation observations are compared with recent experimental results, such as quasi-elastic neutron scattering and neutron-spin echo.