Novel silicon-based solid-state electrolytes Li2SiI4O based on theoretical calculation prediction

doi:10.1016/j.jmat.2026.101286

Novel silicon-based solid-state electrolytes Li2SiI4O based on theoretical calculation prediction

2026-07-09

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DOI：10.1016/j.jmat.2026.101286

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• A new silicon-based solid electrolyte, Li2SiI4O, was designed by theoretical calculations and experimentally synthesized for all-solid-state batteries. • Optimized Li2SiI4O delivers a room-temperature ionic conductivity of 1.23 × 10–4 S/cm4 and an ultralow electronic conductivity of 1.49 × 10–8 S/cm. • Li2SiI4O exhibits a low Young’s modulus of 19.8 GPa, enabling improved mechanical compliance and stable electrode-electrolyte contact. • NCM811-based all-solid-state cells using Li2SiI4O achieve 197.27 mA⸱h/g at 0.1 C and retain 80% capacity after 803 cycles at 1 C.

Keywords:

All-solid-state batteries

Novel Solid-State Electrolytes

Theoretical Calculations

Low Young’s modulus

Novel silicon-based solid-state electrolytes Li2SiI4O based on theoretical calculation prediction

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