电解质
溶剂化
锂(药物)
离子
中子散射
水溶液
离子运输机
电导率
材料科学
阳离子聚合
渗透(认知心理学)
中子衍射
纳米-
化学
化学物理
分子动力学
中子
计算化学
物理化学
结晶学
晶体结构
有机化学
电极
物理
复合材料
神经科学
内分泌学
生物
医学
量子力学
作者
Oleg Borodin,Liumin Suo,Mallory Gobet,Xiaoming Ren,Fei Wang,Antonio Faraone,Jing Peng,Marco Olguin,Marshall A. Schroeder,Michael S. Ding,Eric A. Gobrogge,Arthur v. Cresce,Stephen Munoz,Joseph A. Dura,Steve Greenbaum,Chunsheng Wang,Ke Xu
出处
期刊:ACS Nano
[American Chemical Society]
日期:2017-10-13
卷期号:11 (10): 10462-10471
被引量:280
标识
DOI:10.1021/acsnano.7b05664
摘要
Using molecular dynamics simulations, small-angle neutron scattering, and a variety of spectroscopic techniques, we evaluated the ion solvation and transport behaviors in aqueous electrolytes containing bis(trifluoromethanesulfonyl)imide. We discovered that, at high salt concentrations (from 10 to 21 mol/kg), a disproportion of cation solvation occurs, leading to a liquid structure of heterogeneous domains with a characteristic length scale of 1 to 2 nm. This unusual nano-heterogeneity effectively decouples cations from the Coulombic traps of anions and provides a 3D percolating lithium–water network, via which 40% of the lithium cations are liberated for fast ion transport even in concentration ranges traditionally considered too viscous. Due to such percolation networks, superconcentrated aqueous electrolytes are characterized by a high lithium-transference number (0.73), which is key to supporting an assortment of battery chemistries at high rate. The in-depth understanding of this transport mechanism establishes guiding principles to the tailored design of future superconcentrated electrolyte systems.
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