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离子液体电解质在锂离子电池中的电化学特性的理论见解

English | 2024 | ISBN: 9781003531821 | 77 pages | True PDF,EPUB | 4.15 MB

This book provides a concise overview of the use of ionic liquids as electrolytes in lithium-ion batteries (LIBs) from a theoretical and computational perspective. It focuses on computational studies to understand the behavior of lithium ions in different ionic liquids and to optimize the performance of ionic liquid-based electrolytes. The main features of the book are as follows

• Provides a thorough understanding of the theoretical and computational aspects of using ionic liquids as electrolytes in LIBs, including the evaluation and reproducibility of the theoretical paths.

• Covers various computational methods such as density functional theory, molecular dynamics, and quantum mechanics that have been used to study the behavior of lithium ions in different solvents and to optimize the performance of ionic liquid-based electrolytes.

• Discusses recent advances such as new computational methods for predicting the properties of ionic liquid-based electrolytes, new strategies for improving the stability and conductivity of these electrolytes, and new approaches for understanding the kinetics and thermodynamics of redox reactions with ionic liquids.

• Suggests how theoretical insights can be translated into practical applications for improving performance and safety.

This monograph will be of interest to engineers working on LIB optimization.

英文| 2024 |国际标准图书编号:9781003531821 | 77页|真PDF,EPUB | 4.15 MB 本书从理论和计算的角度简要概述了离子液体作为锂离子电池(LIB)电解质的使用。它侧重于计算研究,以了解锂离子在不同离子液体中的行为,并优化离子液体基电解质的性能。这本书的主要特点如下 •全面了解在LIB中使用离子液体作为电解质的理论和计算方面,包括理论路径的评估和再现性。 •涵盖了各种计算方法,如密度泛函理论、分子动力学和量子力学,这些方法已被用于研究锂离子在不同溶剂中的行为,并优化离子液体基电解质的性能。 •讨论最近的进展,如预测离子液体基电解质性质的新计算方法、提高这些电解质稳定性和电导率的新策略,以及理解离子液体氧化还原反应动力学和热力学的新方法。 •建议如何将理论见解转化为实际应用,以提高性能和安全性。 这本专著将引起从事LIB优化工作的工程师的兴趣。
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