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arXiv · 2410.15350

Li$_{14}$Mn$_{2}$S$_{9}$ and Li$_{10}$Si$_{2}$S$_{9}$ as a pair of all-electrochem-active electrode and solid-state electrolyte with chemical compatibility and low interface resistance

Qifan Yang·Jing Xu·Xiao Fu·Jingchen Lian·Liqi Wang·Xuhe Gong·Zibin Wang·Ruijuan Xiao·Hong Li
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Abstract

In solid-state batteries (SSBs), improving the physical contact at the electrode-electrolyte interface is essential for achieving better performance and durability. On the one hand, it is necessary to look for solid-state electrolytes (SSEs) with high ionic conductivity and no reaction with the electrode, on the other hand, to design the all-electrochem-active (AEA) electrodes that contain no SSEs and other non-active substances. In this work, we proposed a pair of AEA-electrode and SSE with the same structural framework and excellent interface compatibility, Li$_{14}$Mn$_{2}$S$_{9}$ and Li$_{10}$Si$_{2}$S$_{9}$, and confirmed the feasibility by ab-initio molecular dynamics (AIMD) simulations and machine learning interatomic potential based molecular dynamics (MLIP-based MD) simulations, providing a new approach to promote interfacial stability in SSBs.

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Qifan Yang, Jing Xu, Xiao Fu, Jingchen Lian, Liqi Wang, Xuhe Gong, Zibin Wang, Ruijuan Xiao, Hong Li. 2024-10-20. Li$_{14}$Mn$_{2}$S$_{9}$ and Li$_{10}$Si$_{2}$S$_{9}$ as a pair of all-electrochem-active electrode and solid-state electrolyte with chemical compatibility and low interface resistance. https://arxiv.org/abs/2410.15350

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