锂离子电池及其他用途有机电解质溶液中的离子传输

Q4 Energy
A. Karatrantos, Sharif Khan, Chuanyu Yan, R. Dieden, K. Urita, T. Ohba, Q. Cai
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引用次数: 4

摘要

金属离子电池的低温性能和快速充放电速率主要取决于电解质(离子)的输运。为了设计和/或优化锂离子电池和其他金属离子电池,必须评估准确的输运特性。在这篇综述中,我们报告并讨论了离子传输的实验和原子计算研究,特别是离子扩散/动力学,转移数和离子电导率。虽然对锂离子在有机液体中的输运进行了大量的研究,但对电池中使用的其他碱金属(如钠、钾、镁等)在有机液体电解质相中进行的实验研究很少。原子计算机模拟可以发挥主要作用,预测有机液体中的离子输运。然而,到目前为止,原子力场和模型还没有得到充分的探索和发展,以模拟这种有机液体,并在定量上与实验测量一致。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Ion Transport in Organic Electrolyte Solutions for Lithium-ion Batteries and Beyond
The performance of metal-ion batteries at low temperatures and their fast charge/discharge rates are determined mainly by the electrolyte (ion) transport. Accurate transport properties must be evaluated for designing and/or optimization of lithium-ion and other metal-ion batteries. In this review, we report and discuss experimental and atomistic computational studies on ion transport, in particular, ion diffusion/dynamics, transference number, and ionic conductivity. Although a large number of studies focusing on lithium-ion transport in organic liquids have been performed, only a few experimental studies have been conducted in the organic liquid electrolyte phase for other alkali metals that are used in batteries (such as sodium, potassium, magnesium, etc.). Atomistic computer simulations can play a primary role and predict ion transport in organic liquids. However, to date, atomistic force fields and models have not been explored and developed exhaustively to simulate such organic liquids in quantitative agreement to experimental measurements.
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来源期刊
Journal of Nuclear Energy Science and Power Generation Technology
Journal of Nuclear Energy Science and Power Generation Technology Energy-Energy Engineering and Power Technology
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