Simulation calculation method and application of ionic liquid electrolyte

doi:10.19799/j.cnki.2095-4239.2022.0007

Abstract

Abstract:

As an important part of electrochemical energy storage system, electrolyte is one of the key factors to determine the battery capacity, support the energy storage and cycle stability of supercapacitor. As a new kind of soft functional materials, ionic liquids are widely used in electrochemical energy storage components, such as lithium batteries and supercapacitors, and gradually become one of the best substitutes for traditional organic electrolytes because of their high conductivity, wide electrochemical window, good thermal stability and no significant vapor pressure. At present, the design and research of ionic liquid electrolytes mostly use experimental test method, which has large search range, high cost, and it is difficult to accurately obtain a deep understanding of its dynamic structure, formation mechanism and action mechanism at the nano and micro level. Therefore, this review aims to summarize the related progress of ionic liquid electrolyte in simulation calculation. Firstly, according to different simulation scales, three simulation methods for ionic liquid electrolytes are introduced, and their advantages and disadvantages are discussed. Secondly, according to the different components of ionic liquid in electrolytes, the simulation research status of ionic liquid in battery and supercapacitor are reviewed respectively. Finally, the future challenges and development direction of ionic liquid electrolytes are discussed, in order to provide a new research idea for the simulation of electrolytes.

Key words: electrolyte, ionic liquid, molecular simulation, battery, supercapacitor

CLC Number:

TM 911.3

Bowen YUE, Jiahuan TONG, Yuwen LIU, Feng HUO. Simulation calculation method and application of ionic liquid electrolyte[J]. Energy Storage Science and Technology, 2022, 11(3): 897-911.

Figures/Tables 9

References 69

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