Incorporating small organic molecules with redox-active sites into a suitable porous organic framework could enhance both ion diffusion rate and electronic conductivity while reducing its solubility in electrolytes. Principles for the construction of a redox-active porous organic framework should not sacrifice the theoretical capacity and should balance various important parameters such as specific capacity, cycling stability, rate capability, as well as scalability. Herein, we designed two new porous organic frameworks as cathode materials for lithium-ion batteries (LIBs) using hexaazatrinaphthalene (HATN) cores which show high theoretical capacities. The polymer materials were synthesized in a facile and scalable manner with different structural features ranging from a rigid conjugated framework (HATNPF1) to a flexible nonconjugated framework (HATNPF2). HATNPF polymers demonstrated a high specific capacity (309 mA h g^–1), and excellent long-term cycling stability (92% capacity retention after 1200 cycles) and rate capability (65% capacity retention at 2 A g^–1 as compared to capacity at 0.2 A g^–1), which is an improvement over previously reported porous organic polymers and the HATN monomer. The structure–property relationships of these porous frameworks were also studied using computational modeling.

中文翻译：

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基于六氮杂萘并萘的多孔有机聚合物作为锂离子电池的有机阴极材料

将具有氧化还原活性位点的有机小分子掺入合适的多孔有机骨架中可以提高离子扩散速率和电子传导性，同时降低其在电解质中的溶解度。构造具有氧化还原活性的多孔有机骨架的原理不应牺牲理论容量，而应平衡各种重要参数，例如比容量，循环稳定性，速率容量以及可扩展性。在本文中，我们设计了两种新型多孔有机骨架材料，它们是使用具有高理论容量的六氮杂萘基萘（HATN）核作为锂离子电池（LIB）的阴极材料。聚合物材料以简便且可扩展的方式合成，具有从刚性共轭骨架（HATNPF1）到柔性非共轭骨架（HATNPF2）的不同结构特征。HATNPF聚合物表现出高比容量（309 mA汞柱）^–1），出色的长期循环稳定性（1200次循环后容量保持率为92％）和速率容量（2 A g ^–1时的容量保持率为65％，而0.2 A g ^–1时的容量保持）超过先前报道的多孔有机聚合物和HATN单体。还使用计算模型研究了这些多孔框架的结构-性质关系。