锂离子电池SEI多尺度建模研究展望

张慧敏, 王京, 王一博, 郑家新, 邱景义, 曹高萍, 张浩

Multiscale modeling of the SEI of lithium-ion batteries

Huimin ZHANG, Jing WANG, Yibo WANG, Jiaxin ZHENG, Jingyi QIU, Gaoping CAO, Hao ZHANG

图7(a) 模型体系及反应方案(青色为碳、红色为氧、白色为氢、橙色为磷、绿色为氟、蓝色为锂)[77]；(b)在kMC模拟中选择发生的4种类型事件的示意图表示[79]；(c, d)完全充电过程中SEI溶剂活化能对总充电时间和SEI厚度的影响[80]

Fig. 7 (a) Model system and reaction scheme (cyan, carbon; red, oxygen; white, hydrogen; orange, phosphorus; green, fluorine; blue, lithium) [77]. (b) Schematic representation of the 4 types of events selected to occur in the kMC simulations[79]. (c, d) Effect of SEI solvent activation energy on the total charging time and SEI thickness during a full charging process [80]