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Frontiers in Theoretical Analysis of Solid Electrolyte Interphase Formation Mechanism
Advanced Materials ( IF 27.4 ) Pub Date : 2021-08-02 , DOI: 10.1002/adma.202100574
Norio Takenaka 1, 2 , Amine Bouibes 3 , Yuki Yamada 1, 2 , Masataka Nagaoka 2, 3 , Atsuo Yamada 1, 2
Affiliation  

Solid electrolyte interphase (SEI) is an ion conductive yet electron-insulating layer on battery electrodes, which is formed by the reductive decomposition of electrolytes during the initial charge. The nature of the SEI significantly impacts the safety, power, and lifetime of the batteries. Hence, elucidating the formation mechanism of the SEI layer has become a top priority. Conventional theoretical calculations reveal initial elementary steps of electrolyte reductive decomposition, whereas experimental approaches mainly focus on the characterization of the formed SEI in the final form. Moreover, both theoretical and experimental methodologies could not approach intermediate or transient steps of SEI growth. A major breakthrough has recently been achieved through a novel multiscale simulation method, which has enriched the understanding of how the reduction products are aggregated near the electrode and influence the SEI morphologies. This review highlights recent theoretical achievements to reveal the growth mechanism and provides a clear guideline for designing a stable SEI layer for advanced batteries.

中文翻译:

固体电解质界面形成机理理论分析前沿

固体电解质界面(SEI)是电池电极上的离子导电但电子绝缘层,它是由电解质在初始充电过程中的还原分解形成的。SEI 的性质显着影响电池的安全性、功率和寿命。因此,阐明SEI层的形成机制已成为当务之急。传统的理论计​​算揭示了电解质还原分解的初始基本步骤,而实验方法主要关注最终形式形成的 SEI 的表征。此外,理论和实验方法都无法接​​近 SEI 增长的中间或瞬态步骤。最近通过一种新颖的多尺度模拟方法取得了重大突破,这丰富了对还原产物如何在电极附近聚集并影响 SEI 形态的理解。这篇综述强调了最近的理论成果,以揭示生长机制,并为为先进电池设计稳定的 SEI 层提供了明确的指导。
更新日期:2021-09-14
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