The efficacy of electrolytes significantly affects battery performance, leading to the development of several strategies to enhance them. Despite this, the understanding of solvation structure remains inadequate. It is imperative to understand the structure–property–performance relationship of electrolytes using diverse techniques. This review explores the recent advancements in electrolyte design strategies for high capacity, high-voltage, wide-temperature, fast-charging, and safe applications. To begin, the current state-of-the-art electrolyte design directions are comprehensively reviewed. Subsequently, advanced techniques and computational methods used to understand the solvation structure are discussed. Additionally, the importance of high-throughput screening and advanced computation of electrolytes with the help of machine learning is emphasized. Finally, future horizons for studying electrolytes are proposed, aimed at improving battery performance and promoting their application in various fields by enhancing the microscopic understanding of electrolytes.

中文翻译：

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探索溶剂化结构和传输行为，以合理设计下一代锂电池的先进电解质

电解质的功效显着影响电池性能，因此开发了多种增强电池性能的策略。尽管如此，对溶剂化结构的理解仍然不足。必须使用不同的技术来了解电解质的结构-性质-性能关系。本综述探讨了高容量、高电压、宽温度、快速充电和安全应用电解质设计策略的最新进展。首先，全面回顾当前最先进的电解质设计方向。随后，讨论了用于理解溶剂化结构的先进技术和计算方法。此外，还强调了借助机器学习进行高通量筛选和高级电解质计算的重要性。最后，提出了电解质研究的未来前景，旨在通过增强对电解质的微观理解来提高电池性能并促进其在各个领域的应用。