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Uncovering the Effect of Solid Electrolyte Interphase on Ion Desolvation for Rational Interface Design in Li-Ion Batteries
Advanced Energy Materials ( IF 27.8 ) Pub Date : 2023-05-12 , DOI: 10.1002/aenm.202300626
Aiping Wang, Li Wang, Yanzhou Wu, Yufang He, Dongsheng Ren, Youzhi Song, Bo Zhang, Hong Xu, Xiangming He

The conventional knowledge of solid electrolyte interphases (SEIs) is limited to their ionic conductive and electron-insulating properties. The solvation structure regulation in the new-concept electrolytes always leads to the regulated SEI, resulting in the improvement of ion desolvation kinetics. However, the linkage between the improved kinetics and the regulated SEl remains unconnected at the atomic level. Herein, this work proposes that the SEI can function more by facilitating ion desolvation. Using quantum chemistry calculations, this work explores the ion desolvation processes with and without SEI. It is found the accelerated ion desolvation in the new-concept electrolytes is directly attributed to the SEI rather than the regulated solvation structure. Based on the recognition of SEI's role, this work proposes an SEI-aided ion desolvation model. This study bridges the SEI and battery kinetics at the atomic scale and redefines the functions of SEI, which are expected to steer the electrolyte design in batteries.

中文翻译:

揭示固体电解质界面对离子去溶剂化的影响,以实现锂离子电池的合理界面设计

固体电解质中间相(SEI)的传统知识仅限于其离子导电和电子绝缘特性。新概念电解质中的溶剂化结构调节总是导致SEI的调节,从而改善离子去溶剂化动力学。然而,改进的动力学和调节的SEI之间的联系在原子水平上仍然没有联系。在此,这项工作提出 SEI 可以通过促进离子去溶剂化来发挥更多作用。这项工作利用量子化学计算,探索了有和没有 SEI 的离子去溶剂化过程。研究发现,新概念电解质中离子去溶剂化的加速直接归因于SEI,而不是受调节的溶剂化结构。基于对 SEI 作用的认可,这项工作提出了一种 SEI 辅助离子去溶剂化模型。这项研究在原子尺度上连接了 SEI 和电池动力学,并重新定义了 SEI 的功能,有望指导电池中的电解质设计。
更新日期:2023-05-12
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