离子液体
溶剂化
电解质
离子
锂(药物)
化学
离子键合
盐(化学)
钠
碱金属
无机化学
化学物理
物理化学
有机化学
电极
催化作用
内分泌学
医学
作者
Fang Fang Chen,Patrick C. Howlett,Maria Forsyth
标识
DOI:10.1021/acs.jpcc.7b09322
摘要
Ionic liquids have been extensively studied for developing next-generation Li- and Na-ion batteries because they are potentially safer replacements for conventional organic solvents in liquid electrolytes. Some recent work has drawn our attention to high lithium and sodium salt concentration ionic liquid systems which demonstrate high alkali-metal-ion transference numbers and support cycling at high current densities. Here we present an in-depth theoretical study of ion dynamics in a concentrated room-temperature ionic liquid, N-propyl-N-methylpyrrolidinium bis(fluorosulfonyl)imide ([C3mpyr][FSI]) with a sodium salt (NaFSI), focusing on how the solvation structure of a Na ion changes with salt concentration and how this affects its dynamics. These findings will help to understand the behavior of superconcentrated ionic liquid materials that will guide experimentalists in optimizing ionic liquid-based electrolyte materials.
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