Polymeric organic battery materials are promising alternatives to the transition-metal-based ones owing to their enriched chemistries. However, the flammability of organic compounds brings in serious concern on battery safety. In addition to use flame-retarding electrolyte/electrolyte additives or battery separators, flame retardancy can readily be achieved through the integration of flame-retarding unit into the polymer backbone, imparting the flame retardancy permanently. The as-designed polymer based on phenothiazine shows significantly shortened self-extinguished time without deteriorating its intrinsic thermodynamic and electrochemical properties. Moreover, two electron per phenothiazine molecule is realized for the first time in a highly reversible manner with discharge voltages of 3.52 V and 4.16 V versus Li⁺/Li and an average capacity of ca. 120 mAh g⁻¹ at a current rate of 2 C. The origin of the reversibility is investigated through density functional theory (DFT) calculations. These findings address the importance of molecular design for safer and more stable organic materials for batteries.

高分子有机电池材料因其丰富的化学性质而成为过渡金属基材料的有前途的替代品。然而，有机化合物的可燃性引起对电池安全性的严重关注。除了使用阻燃电解质/电解质添加剂或电池隔膜外，还可以通过将阻燃单元集成到聚合物主链中来永久实现阻燃性，从而轻松实现阻燃性。设计的基于吩噻嗪的聚合物显示出明显缩短的自熄时间，而不会降低其固有的热力学和电化学性能。此外，首次以高可逆方式实现每个吩噻嗪分子两个电子的放电电压（相对于Li ⁺为3.52 V和4.16 V）/ Li，平均容量约为 在2 C的电流速率下为120 mAh g ^-1。通过密度泛函理论（DFT）计算来研究可逆性的起源。这些发现解决了分子设计对于更安全，更稳定的电池有机材料的重要性。