俘获
接口(物质)
材料科学
扩散
原子间势
人工智能
计算机科学
化学物理
工作(物理)
机器学习
分子动力学
化学
电解质
计算模拟
纳米技术
训练集
作者
Yu-Ting Tai,Hong‐Kang Tian
摘要
into the solid electrolyte LATP impacts Li-ion transport using fine-tuned machine learning interatomic potentials. Our simulations reveal that Co substitution at Ti sites induces local Li-ion trapping and disrupts long-range diffusion pathways. This study provides atomistic insights into interfacial resistance in all-solid-state batteries and highlights a predictive framework for interface design.
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