长链腈优化界面提升阻燃电解液与硬碳兼容性  

Optimizing Interface with Long-chain Nitriles for Enhanced Compatibility of Flame-retardant Electrolytes with Hard Carbon

作　　者：余雪琪 杨程 高彦峰[1] 刘宇[2] YU Xueqi;YANG Cheng;GAO Yanfeng;LIU Yu(School of Materials Science and Engineering,Shanghai University,Shanghai 200444,China;Shanghai Institute of Ceramics,Chinese Academy of Sciences,Shanghai 200050,China)

机构地区：[1]上海大学材料科学与工程学院,上海200444 [2]中国科学院上海硅酸盐研究所,上海200050

出　　处：《广州化学》2025年第1期45-50,I0003,共7页Guangzhou Chemistry

基　　金：内蒙古自治区科技计划资助(No.2021ZD0033)。

摘　　要：开发了一种适用于硬碳(HC)负极的阻燃电解液,分子动力学模拟表明,加入的己二腈上的强电负性基团(-C≡N)可调节溶剂化结构,改变固体电解质界面(SEI)的形成途径,在HC表面构建更稳固的SEI。电化学测试结果表明,优化后的电解液性能大幅提高,使得HC||Na半电池在3 C倍率下可稳定循环1000圈,首次库伦效率提升了1.5倍。Na_(4)Fe_(3)(PO_(4))_(2)P_(2)O_(7)(NFPP)|HC全电池可以稳定循环380圈,容量保持率为70%。该工作为开发新型高安全钠离子电池提供了新的思路。A flame-retardant electrolyte suitable for hard carbon(HC)anodes has been developed.Molecular dynamics simulation shows that the strong electronegative group(-C≡N)on the added adiponitrile can adjust the solvated structure,change the formation pathway of the solid electrolyte interphase(SEI),and construct a more stable SEI on the HC surface.Electrochemical testing results show that the optimized electrolyte performance has been significantly improved,enabling the HC||Na half-cell to cycle stably for 1000 cycles at a rate of 3 C,and the initial coulombic efficiency has increased by 1.5 times.The Na_(4)Fe_3(PO_(4))_(2)P_(2)O_(7)(NFPP)||HC full-cell can cycle stably for 380 cycles with a capacity retention of 70%.This work provides a novel idea for developing new high-safety sodiumion batteries.

关 键 词：钠离子电池 阻燃 硬碳 磷酸三甲酯 己二腈 

分 类 号：O646[理学—物理化学]