Effects of water on the structure and transport properties of room temperature ionic liquids and concentrated electrolyte solutions
Zhang Jinbing1, 2, Wang Qiang2, †, Cao Zexian2, 3, ‡
       

MD-simulated structures of water H-bonding and ion networks in concentrated LiTFSI aqueous solutions. (a) and (b) MD snapshot structures of a LiTFSI solution (Fig. S7), ion aggregate (red), and water network (blue) at two different concentrations, 15 m and 21 m, respectively. (c) A slab of snapshot structure of a 21 m LiTFSI solution exhibits water channels and ion networks that serve as a porous framework providing open channels through which water can flow. (d) A mobile lithium (gray) ion at four sequential 1 ps steps through a bulk-like water channel, although one lithium ion in the ion network does not move (e). Reprinted with permission from Ref. [69]. Copyright 2018, American Chemical Society.