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Optimization of thermoelectric performances of conjugated polymers containing Trans-1,2-di(2-thienyl)ethylene subunits via structural modulation and doping engineering
Organic Electronics ( IF 2.7 ) Pub Date : 2022-10-19 , DOI: 10.1016/j.orgel.2022.106671
Mengsu Zhu , Zixin Chang , Sicheng Wu , Yong Sun , Yang Li , Yigang Jin , Ye Zou , Yimeng Sun , Wei Xu , Daoben Zhu

Focusing on the thermoelectric (TE) properties of (E)-1,2-di(thiophen-2-yl)ethene (TVT)-based organic conjugated polymers, backbone modification via copolymerization with different subunits and chemical doping with variant dopants are implemented. Herein, two polymers named PTVTTT14 and PTVTDTT18 with subtle structural difference are synthesized by copolymerizing TVT with TT (thieno[3,2-b]thiophene) and DTT (dithieno[3,2-b:2′,3′-d]thiophene), respectively. Cooperation with less extended fused thiophene units TT, PTVTTT14 displays better solubility and hence larger molecular weight even with shortening alkyl side-chains comparing to that of PTVTDTT18. All these factors facilitate its better thermoelectric conversion efficiency. Furthermore, three dopants (CuTFSI, CN6CP and F4TCNQ) were employed to optimize polymers' TE performances. PTVTTT14 and PTVTDTT18 display highest PF of 9.4 and 5.0 μW m−1 K−2 with F4TCNQ as dopant. The higher electron affinity (EA) of F4TCNQ and CN6CP than ionization energy (IE) of the two polymers is energetically favorable to charge transfer, but the poor solubility of CN6CP hindering its effective doping. Moreover, CuTFSI-doped polymers show highest conductivity but lowest Seebeck coefficient (S) and power factor (PF) on account of its strong doping ability. Prospectively, reasonable ideas for polymers design and dopants selection are provided to obtain TVT-based polymers with better TE properties.



中文翻译:

通过结构调制和掺杂工程优化含有反式-1,2-二(2-噻吩基)乙烯亚基的共轭聚合物的热电性能

围绕(E)-1,2-二(噻吩-2-基)乙烯(TVT)基有机共轭聚合物的热电(TE)特性,通过与不同亚基的共聚和化学掺杂不同的掺杂剂进行骨架改性. 在此,通过将 TVT 与 TT(噻吩并[3,2- b ]噻吩)和 DTT(二噻吩并[3,2-b:2',3'-d]噻吩)共聚,合成了两种具有细微结构差异的聚合物 PTVTTT14 和 PTVTDTT18。), 分别。与较少延伸的稠合噻吩单元 TT 合作,PTVTTT14 与 PTVTDTT18 相比,即使在烷基侧链缩短的情况下也显示出更好的溶解度和更大的分子量。所有这些因素都有利于其更好的热电转换效率。此外,三种掺杂剂(CuTFSI、CN 6 CP 和 F4 TCNQ) 用于优化聚合物的热电性能。PTVTTT14 和 PTVTDTT18在 F 4 TCNQ 作为掺杂剂的情况下显示出 9.4 和 5.0 μW m -1  K -2的最高 PF。F 4 TCNQ 和CN 6 CP 的电子亲和能(EA)高于两种聚合物的电离能(IE),这在能量上有利于电荷转移,但CN 6 CP 溶解度差,阻碍了其有效掺杂。此外,CuTFSI 掺杂的聚合物表现出最高的电导率,但塞贝克系数最低(S)和功率因数(PF),因为它具有很强的掺杂能力。前瞻性地,为聚合物设计和掺杂剂选择提供了合理的思路,以获得具有更好 TE 性能的 TVT 基聚合物。

更新日期:2022-10-21
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