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对于先进的离子电池的青衍生硬碳的分子描述器导向微结构调节

Yingdan Cui¹, Feng Wang², Jin Yang²

¹College of Chemical Engineering, Fuzhou University, Fuzhou, P.R. China.

Angewandte Chemie (International ed. in English)

|March 9, 2026

概括

来自青的硬碳显示出离子电池的潜力. 新的分子描述器精确地控制碳化,导致优越的电化学性能和稳定的储存.

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
化学工程是化学工程的重要组成部分.

背景情况:

青是离子电池中硬碳阳极的具有成本效益的前体.
青的复杂分子结构阻碍了可控的碳化和可预测的性能.

研究的目的:

开发定量分子描述器,以将青前体拓与硬碳微观结构相关联.
为了实现高性能硬碳阳极的合理设计,用于离子电池.

主要方法:

开发了两个分子描述仪:芳香替代指数 (f_a^s) 和短链替代指数 (R).
系统的溶剂分化和青衍生碳的多尺度表征.
前体分子特征与由此产生的硬碳微观结构之间的相关性分析.

主要成果:

高R值 (短链基组) 通过氧化交联抑制石墨化.
高的f_a^s值 (芳香替代) 促进均的孔隙形成和结构障碍.
优化硬碳表现出优异的储量:326 mAh g^{-1 ,93%的保留超过500个周期,和204 mAh g^{-1在5 A g^{-1 .}}}

结论:

分子描述器为硬碳微观结构的形成提供了基本的见解.
这种基于描述符的方法为选择青前体提供了一个实际的策略.
能够合理设计先进的硬碳阳极,以提高离子电池性能.

关键词:

芳香替代指数是一种芳香替代指数.青的分量是青的分量.硬碳是一种硬的碳.短链替代指数短链替代指数在离子电池中使用.

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