🔋 Quantifying electronic insulation of solid-electrolyte interphases through electrolyte decomposition kinetics

📝 این مقاله با بررسی سینتیک تجزیه الکترولیت، عایق‌بودن الکترونیکی لایه بین‌فازی الکترولیت جامد (SEI) را کمّی می‌کند که برای عملکرد باتری‌های لیتیوم-یون حیاتی است.

📚 Journal: npj Computational Materials #NpjComputationalMaterials
📅 Date: 2026-10-14
🔬 Research Article | 🔓 Open Access

💡 Novelty & Significance:
This work introduces RED, a computational framework combining Marcus theory and constrained DFT to quantify SEI electronic insulation via electrolyte decomposition kinetics. Unlike prior methods focused solely on electronic coupling, RED integrates reorganization energy, revealing that it can reverse insulation rankings. This enables component-resolved, electrolyte-dependent evaluation, identifying Li2CO3's high insulation and establishing a proof-of-concept for studying heterogeneous SEIs.

🔗 10.1038/s41524-026-02362-w

🏷 solid-electrolyte interphase · electrolyte decomposition · electronic insulation · kinetics · lithium-ion battery