Electrochemically polymerized anthraquinone derivatives on conductive carbon nanotubes are redox-active as organic cathode materials for lithium-ion batteries. Density functional theory calculations and electrochemical measurements reveal that the polymerized anthraquinone cathodes exhibit the multiple redox reactions with electrolyte ions through a bipolar charge storage mechanism: (1) the n-type doping/dedoping mechanism associated with Li⁺ binding in a potential window of 1.5–3.0 V versus Li and (2) the PF₆^–-involved p-type doping/dedoping mechanism in a potential window of 3.0–4.5 V versus Li. Polymerized 1-aminoanthraquinone (AAQ) shows progressive deactivation upon cycling because of the charge trapping effect. On the other hand, the polymerized 1,5-diaminoanthraquinone (DAAQ) delivers extraordinarily high charge capacities up to 311 mA h/g while effectively avoiding undesirable charge trapping behaviors. We establish the relationship between the structure and charge storage performance of the polymerized quinone derivatives, suggesting a high-performance organic cathode material for rechargeable battery applications.

中文翻译：

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通过双极机理增强有机阴极的锂存储

导电碳纳米管上的电化学聚合蒽醌衍生物具有氧化还原活性，可作为锂离子电池的有机阴极材料。密度泛函理论计算和电化学测量表明，聚合的蒽醌阴极通过双极电荷存储机制表现出与电解质离子的多次氧化还原反应：（1）与Li ⁺结合的n型掺杂/去掺杂机制在1.5的电位窗口中–3.0 V与Li和（2）PF ₆ ^–相对于Li的电位窗口为3.0-4.5 V的P型掺杂/去掺杂机制。聚合的1-氨基蒽醌（AAQ）由于电荷俘获作用而在循环时显示出逐渐失活。另一方面，聚合的1,5-二氨基蒽醌（DAAQ）可提供高达311 mA h / g的极高电荷容量，同时有效避免了不良的电荷捕获行为。我们建立了聚合醌衍生物的结构与电荷存储性能之间的关系，这表明了可充电电池应用中的高性能有机阴极材料。