Ionic liquids as electrolytes for energy storage applications - A modelling perspective

被引：109

作者：

Jonsson, Erlendur ^{[1
,2
]}

机构：

[1] Univ Cambridge, Dept Chem, Lensfield Rd, Cambridge CB2 1EW, England

[2] Chalmers Univ Technol, Dept Phys, S-41296 Gothenburg, Sweden

来源：

ENERGY STORAGE MATERIALS | 2020年 / 25卷

基金：

瑞典研究理事会;

关键词：

Ionic liquids; Modelling; Molecular dynamics; Batteries; Supercapacitors; MOLECULAR-FORCE FIELD; POLYMER ELECTROLYTES; BATTERY ELECTROLYTES; DYNAMICS SIMULATIONS; TRANSPORT MECHANISM; AB-INITIO; CHARGE; SOLVATION; MIXTURES; POLARIZABILITIES;

D O I：

10.1016/j.ensm.2019.08.030

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Ionic liquids as electrolytes for energy storage devices is a promising field. Here, the various approaches of how ionic liquids can be modelled are discussed along with how the modelling connects to experimental results. Recent theoretical developments are highlighted along with extended discussion of what molecular dynamics simulation options are now available and what key results can be extracted. Ab initio work is also discussed, this includes some of the spectral properties, both of ionic liquids and their electrolyte formulations.

引用

收藏

页码：827 / 835

页数：9

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