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Bibliographic Details
Main Authors: Yang, Qifan, Xu, Jing, Fu, Xiao, Lian, Jingchen, Wang, Liqi, Gong, Xuhe, Wang, Zibin, Xiao, Ruijuan, Li, Hong
Format: Preprint
Published: 2024
Subjects:
Online Access:https://arxiv.org/abs/2410.15350
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Table of Contents:
  • 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.