界面聚合机制协助阳极上的低易燃电解质的阻燃过程
Bingyun Ma1, Qintao Sun1, Jinying Wu1
1Institute of Functional Nano & Soft Materials (FUNSOM), Jiangsu Key Laboratory for Carbon-Based Functional Materials & Devices, Joint International Research Laboratory of Carbon-Based Functional Materials and Devices, Soochow University, 199 Ren'ai Road, Suzhou 215123, Jiangsu, PR China.
这项研究阐明了使用三甲基酸盐的离子电池中阻燃机制. 它揭示了和基如何通过防止热失控来创造更安全,更易燃的电解质.
科学领域:
- 材料科学 材料科学 材料科学
- 电化学 电化学 电化学
- 计算化学计算化学
背景情况:
- 高能量密度的离子电池 (LIB) 由于易燃的电解质,存在热失控的风险.
- 像三甲基酸盐 (TMPa) 这样的阻燃剂被使用,但它们的机制和固体电解质介相 (SEI) 形成的理解很差.
- 开发更安全的电解质受到这种知识缺口的阻碍.
研究的目的:
- 阐明三甲基酸盐 (TMPa) 在局部高度电解质 (LHCE) 中的阻燃性和界面反应机制.
- 为设计更安全的LIB电解质提供原子层面的见解.
主要方法:
- 在模拟中利用了混合动力初始和反应力场 (HAIR) 方案.
- 进行了长期的HAIR模拟以观察反应途径.
主要成果:
- 来自TMPa的基分解和聚合碳基成易燃的小聚合物.
- 含的溶剂捕获基,形成不易燃的酸 (HF).
- 确定了一种协同的阻燃机制.
结论:
- 该研究清楚地了解了基于TMPa的电解质的阻燃机制.
- 建立了对协同性阻燃性和界面反应的原子级洞察力.
- 这项研究有助于为先进的LIB设计高安全电解质的合理设计.
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