Li₁₄Mn₂S₉ and Li₁₀Si₂S₉ as a pair of all-electrochem-active electrode and solid-state electrolyte with chemical compatibility and low interface resistance

2024/10/20 by Yang, Qifan, Xu, Jing, Fu, Xiao +6
#FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci)

paper · doi:10.48550/arxiv.2410.15350

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, Li₁₄Mn₂S₉ and Li₁₀Si₂S₉, 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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