基于冠醚轮烷的锂电池正极有机材料的合成及其性质研究

Lithium batteries have become the ideal power supply of portable electronic products quickly because of the advantages of higher working voltage and larger energy density. And the performance of lithium batteries could be affected by the performance of the cathode materials directly. Among the cathode materials, the conjugate oxygen-containing organic compounds have become a research focus with the advantages of higher specific capacity, structure diversity and fast reaction kinetics. This subject is to design and synthesis the novel organic cathode materials for lithium batteries based on rotaxanes of crown ethers. We aim to gain organic cathode materials for lithium batteries with better electrical conductivity and higher capacity by introducing crown ethers. Main research contents include: (1) capturing and taking off lithium-ion rapidly by forming cavernous molecular complexation between crown ethers and carbonyl oxygen anion; (2) improving the charge transfer rate of the material with the characteristics of the shielding effect to the conjugate molecules; (3) evaluating the performance of lithium battery cathode material through a variety of testing methods, and revealing the relationship between the structure and performance of lithium battery cathode material based on rotaxane, and providing the reference for application in the field of functional materials.

锂离子电池由于具有工作电压高、能量密度大等优点而迅速成为便携式电子产品的理想电源。而正极材料的性能直接影响着锂离子电池的性能。在正极材料中，有机共轭含氧化合物由于具有比容量高、结构多样性和反应动力学快等优点，已成为锂电池正极材料的研究热点。本课题旨在设计合成基于冠醚轮烷的新型锂电池正极有机材料。将冠醚引入有机共轭含氧化合物，以期望获得导电性好、容量高的锂电池正极有机材料。具体来讲，将冠醚引入有机共轭含氧化合物可以解决以下问题：（1）利用冠醚可以同羰基氧负离子形成三维络合作用的穴状分子的特点，从而实现对锂离子快速的嵌入和脱出；（2）利用氮杂冠醚可以对共轭分子起屏蔽作用的特点，从而提高材料的电荷迁移率；（3）通过多种测试手段对所得到的锂电池正极有机材料进行性能的评价，并进一步揭示功能轮烷主体结构与性能之间的关系，为轮烷在超分子及功能材料领域的应用提供参考。

目前，锂离子电池由于其工作电压高、能量密度大等优点，已发展成便携式电子产品的理想工作电源。针对锂离子电池电极材料，有机共轭含氧化合物，鉴于其高比容量高、结构多样性和较好的电化学动力学等优点，已成为锂电池正、负极电极材料的研究热点。本课题一方面将有机共轭分子作为主要研究对象，制备基于冠醚的蒽醌分子，并将其应用于锂离子电池正极材料，研究结果表明冠醚的引入可以有效提高有机共轭分子作为锂离子电池正极材料的能量密度。另一方面，将高理论储锂能量密度的三氧化钼作为研究基体，优化合成了基于聚多巴胺和聚丙烯腈的三氧化钼复合基础材料，并将其进一步碳化、煅烧，最终应用于锂离子电池负极材料，研究结果表明聚多巴胺和聚丙烯腈的引入可有效调控最终电极形貌，其最终获得的碳化钼@碳纳米复合阳极具备改善的电化学储能特性。