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对离子电池碳酸基电解质的超高速动力学进行重新审视:澄清2D-IR交叉峰值解释

Chaiho Lim^1,2, Jonggu Jeon¹, Kwanghee Park^1,2

¹Center for Molecular Spectroscopy and Dynamics, Institute for Basic Science (IBS), Seoul 02841, Republic of Korea.

The journal of physical chemistry. B

|October 31, 2023

概括

超快的2D红外光谱显示了离子电池电解质中的化学交换. 频谱的交叉峰是由结和自由碳酸盐分子之间的振动激发转移引起的,澄清了离子运输机制.

科学领域:

电化学电化学电化学
频谱学是一种光谱学.
材料科学材料科学材料科学

背景情况:

了解碳酸盐电解质中的化学交换对于离子电池 (LIB) 离子运输至关重要.
超快的2D红外光谱法用于研究这些电解质中的离子溶解结构和动态.
在碳基拉伸光谱中对2D-IR交叉峰的解释一直在争论中,潜在的起源包括振动合,激发转移和局部加热.

研究的目的:

解决在LIB电解质中的2D-IR交叉峰的有争议的解释.
研究碳酸盐电解质中的化学交换和离子运输机制.
为优化下一代离子电池提供见解.

主要方法:

使用超快的二维红外光谱学进行了全面的调查.
补充分子动力学 (MD) 模拟.
精心分析和解释光谱数据.

主要成果:

在皮秒2D-IR光谱中识别的交叉峰主要来自分子间振动激发转移.
在结和自由碳酸盐分子的碳基组之间显著的激发转移.
讨论了皮秒2D-IR用于研究化学交换和光热效应的局限性.

结论:

解决了LIB电解质中2D-IR交叉峰周围的争议.
已确定振动刺激转移是观察到的交叉峰的主要来源.
提供了对LIB电解质动态的关键见解,以改进电池设计.

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