溶剂化
电解质
锂(药物)
化学
电化学
分子动力学
电介质
分子
溶剂
二甲基亚砜
离子
计算化学
物理化学
二甲醚
化学物理
材料科学
有机化学
内分泌学
医学
光电子学
甲醇
电极
作者
Vanessa Piacentini,Cataldo Simari,Antonio Gentile,Stefano Marchionna,Isabella Nicotera,Sergio Brutti,Enrico Bodo
出处
期刊:Chemsuschem
[Wiley]
日期:2024-06-19
卷期号:17 (22): e202301962-e202301962
被引量:10
标识
DOI:10.1002/cssc.202301962
摘要
Abstract This study explores the properties of aprotic electrolytes via the application of experimental methods, including nuclear magnetic resonance spectroscopy and electrochemical techniques, along with molecular dynamic modeling. The aim is to provide a quantitative description of the physico‐chemical properties of two well‐established electrolytes (case studies), each exhibiting significantly distinct dielectric properties: a LiTFSI (Lithium bis(trifluoromethanesulfonyl)imide) solution in dimethyl sulfoxide (DMSO, dielectric constant =46.68) and a LiTFSI solution in tetraethylene glycol dimethyl ether (TEGDME, =7.71). We obtained a comprehensive insight into the properties of the electrolytes at both the macroscopic‐collective and molecular levels with particular emphasis on the interactions between the Li ions and solvent molecules. We discovered remarkable disparities in the structural arrangements, solvation behaviors, and bulk‐related properties of these electrolyte systems, particularly in response to temperature changes.
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