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| 萘二酰亚胺类锂离子电池有机正极材料的合成及储能机理研究 |
| Synthesis and storage mechanism study of naphthalene diamide-based organic cathode materials for lithium-ion battery |
| 投稿时间：2024-03-23 修订日期：2024-04-01 |
| DOI： |
| 中文关键词: 锂离子电池 萘二酰亚胺 有机小分子 正极材料 |
| 英文关键词:Lithium ion battery, Naphthalene diimide, Organic small molecule, Cathode material |
| 基金项目:国家自然科学基金项目（22075255），河南省科技攻关项目（242102240007） |
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| 中文摘要: |
| 有机电极材料由于其高比容量、结构灵活和环境友好等优点逐渐成为研究的热点。通过在萘二酰亚胺（NDI）核位扩展吡嗪基团，我们合成了一种新型的多电子反应有机电极材料NDI-N，该分子具有良好的晶型以及电化学稳定性。电化学测试表明该分子的初始放电比容量达到155 mAh g-1，以0.2C的电流密度循环500圈之后仍有97%的容量保持率，非原位氢谱核磁测试和理论计算等研究发现NDI-N和锂离子的反应首先发生在吡嗪结构单元的C=N双键上，其次发生在NDI结构的C=O双键上，这一机理的阐明为NDI核位扩展的多电子有机电极材料研究提供了一种可行方案。 |
| 英文摘要: |
| Organic electrode materials are more and more important due to their high specific capacity, flexible structure and environmental friendliness. In this paper, a new type of multi-electron reaction organic electrode material NDI-N was synthesized by extending the pyrazine group at the nuclear site of naphthalimide (NDI). The molecule has good crystal form and electrochemical stability. Electrochemical tests show that the initial discharge specific capacity of the molecule reaches 155 mAh g-1, and there is still a capacity retention rate of 97 % after 500 cycles at a current density of 0.2 C. Ex-situ 1H NMR tests and theoretical calculations have found that the reaction between NDI-N and lithium ions first occurs on the C=N double bond in pyrazine unit, followed by the C=O double bond in NDI structure. The elucidation of this mechanism provides a feasible solution for the study of core-expand NDI multi-electron organic electrode materials. |
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