Effective charge transport properties and molecular doping efficiency are pivotal for achieving a high performance in organic thermoelectrics (OTEs). However, a significant challenge has been the scarcity of electron-deficient building blocks suitable for polymer construction. To address this shortfall, we introduce the quinoidal unit benzodipyrrolidone (BDP) into the realm of organic thermoelectrics for the first time. This work investigates the n-doping and thermoelectric properties of two BDP-based n-type polymers, PBDP-2F and PBDP-2CN. Notably, PBDP-2CN exhibited an E_LUMO of −4.13 eV, representing a 0.11 eV reduction compared to PBDP-2F. Due to its high electron affinity, PBDP-2CN can be doped more easily than PBDP-2F, resulting in higher thermoelectric performance. Furthermore, our comparative analysis with Raman spectroscopy highlighted the exceptional structural stability of quinoidal-based polymers, as evidenced by the preservation of vibrational modes upon doping compared to P(NDI2OD-T2). This significant contribution heralds the innovative use of BDP as a building block in OTEs and yields crucial insights into the molecular design of n-type polymers for achieving a superior thermoelectric performance.

中文翻译：

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基于苯并二吡咯烷酮喹啉酮喹啉单元的 n 型共轭聚合物的热电性能


有效的电荷传输特性和分子掺杂效率对于实现有机热电 （OTE） 的高性能至关重要。然而，一个重大挑战是适合聚合物结构的缺电子结构单元的稀缺。为了解决这一不足，我们首次将喹啉单元苯并二吡咯烷酮 （BDP） 引入有机热电领域。本工作研究了两种基于 BDP 的 n 型聚合物 PBDP-2F 和 PBDP-2CN 的 n 掺杂和热电性能。值得注意的是，PBDP-2CN 的 E_LUMO 为 -4.13 eV，与 PBDP-2F 相比降低了 0.11 eV。由于其高电子亲和力，PBDP-2CN 比 PBDP-2F 更容易掺杂，从而获得更高的热电性能。此外，我们与拉曼光谱的比较分析强调了喹啉基聚合物的特殊结构稳定性，与 P（NDI2OD-T2） 相比，掺杂时保持振动模式证明了这一点。这一重大贡献预示着 BDP 作为 OTE 构建块的创新使用，并为 n 型聚合物的分子设计提供了重要的见解，以实现卓越的热电性能。