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首页> 外文期刊>Journal of Polymer Science, Part A. Polymer Chemistry >3,6-Dialkylthieno[3,2-b]thiophene moiety as a soluble and electron donating unit preserving the coplanarity of photovoltaic low band gap copolymers
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3,6-Dialkylthieno[3,2-b]thiophene moiety as a soluble and electron donating unit preserving the coplanarity of photovoltaic low band gap copolymers

机译：3,6-二烷基噻吩并[3,2-b]噻吩部分作为可溶性和供电子单元，可保持光伏低带隙共聚物的共面性

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摘要

It has been shown recently, that the presence of alkyl side chains at the 3-positions on the thiophene rings placed next to 2,1,3-benzothiadiazole core in the backbone of several conjugated polymers results in severe steric hindrance and prevents efficient planarity of the thiophene-2,1,3-benzothiadiazole- thiophene (TBzT) segment. Both properties have a strong influence on the optoelectronic properties of the polymer and need to be considered when the polymer is to be used for organic electronics applications. In this work, we modified a previously synthesized oligothiophene copolymer, consisting of two 3,4′-dialkyl-2,2′-bithiophene units attached to a 2,1,3-benzothiadiazole unit (TBzT segment) and a thieno[3,2-b]thiophene unit, by optimizing the lateral alkyl side chains following a density functional theory investigation. It is demonstrated that eliminating the alkyl side chains from the 3-positions of the TBzT segment and anchoring them onto the thieno[3,2-b]thiophene, using an efficient synthesis of the 3,6-dihexylthieno[3, 2-b]thiophene unit, allows us to reduce the energy band gap. In addition, the chemical modification leads to a better charge transport and to an enhanced photovoltaic efficiency of polymer/fullerene blends.
机译：最近显示，在几种共轭聚合物的骨架中，紧挨着2,1,3-苯并噻二唑核心的噻吩环的3位烷基侧链的存在会导致严重的空间位阻，并妨碍有效的平面性。噻吩-2,1,3-苯并噻二唑-噻吩（TBzT）段。两种性质都对聚合物的光电性能有很大的影响，因此在将聚合物用于有机电子应用时需要考虑这两种性能。在这项工作中，我们修改了先前合成的低聚噻吩共聚物，该共聚物由两个3,4'-二烷基-2,2'-联噻吩单元连接到2,1,3-苯并噻二唑单元（TBzT链段）和噻吩并[3，根据密度泛函理论研究，通过优化烷基侧链来优化2-b]噻吩单元。结果表明，使用3,6-二己基噻吩并[3,2-b]的有效合成方法，可以从TBzT段的3个位置消除烷基侧链并将其锚定在噻吩并[3,2-b]噻吩上]噻吩单元，可以使我们减小能带隙。另外，化学改性导致更好的电荷传输并提高了聚合物/富勒烯共混物的光伏效率。

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