Substituting Benzodithiophene with Benzodifuran in Carboxylate-Containing Polymer for High-Performance Organic Solar Cells

IF 5.1 1区化学 Q1 POLYMER SCIENCE

Macromolecules Pub Date : 2024-12-16 DOI:10.1021/acs.macromol.4c02123

Peiqing Cong, Mengzhen Du, Ailing Tang, Xianda Li, Zhi Zheng, Yitong Lei, Qing Guo, Xiangnan Sun, Dan Deng, Erjun Zhou

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Abstract

Low-cost carboxylate-modified thiophene-based polymers show promising potential in organic solar cells (OSCs). Further optimizing the film morphology via simple molecular engineering to improve their power conversion efficiencies (PCEs) is significant in pursuing a cost-effective balance. Herein, we developed a new wide-bandgap polymer, TTC-F-BDF, by copolymerizing benzodifuran (BDF) with carboxylate-modified thieno[3,2-b]thiophene (TTC), which is derived from the counterpart polymer, TTC-F, which contains benzodithiophene (BDT) units. Incorporating BDF can effectively tailor molecular aggregation and packing order to optimize film morphology, thus improving charge transport, recombination, and collection processes, ultimately boosting the fill factor (FF) and PCE. The TTC-F-BDF: L8-BO-based OSCs achieved a PCE of up to 16.9% with an enhanced FF of 0.75, among the top PCE values for the carboxylate-containing copolymer-based OSCs. As a control, the TTC-F: L8-BO blends showed a PCE of 15.1%, with a moderate FF of 0.67. In Cl-BTA3 systems, TTC-F-BDF attained a higher PCE of 11.2%, compared with TTC-F (PCE = 10.0%), attributed to the improved FF (0.74 vs 0.65). Besides that, replacing BDT with a cheap BDF unit also contributes to reducing production costs. This work provides a simple and effective molecular design strategy to optimize film morphology for efficiency breakthrough in carboxylate-containing photovoltaic polymers.

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用苯并二呋喃取代含羧酸聚合物中的苯并二噻吩，实现高性能有机太阳能电池

低成本的羧酸改性噻吩基聚合物在有机太阳能电池（OSCs）中具有广阔的应用前景。通过简单的分子工程进一步优化薄膜形态以提高其功率转换效率（pce）对于追求成本效益平衡具有重要意义。本文中，我们将苯二呋喃（BDF）与羧酸修饰的噻吩[3,2-b]噻吩（TTC）共聚，开发了一种新的宽带隙聚合物TTC- f -BDF， TTC是由含有苯二噻吩（BDT）单元的对偶聚合物TTC- f衍生而来的。添加BDF可以有效地调整分子聚集和包装顺序，从而优化膜形态，从而改善电荷传输、重组和收集过程，最终提高填充因子（FF）和PCE。TTC-F-BDF: l8 - bo基OSCs的PCE高达16.9%，FF增强为0.75，是含羧酸酯基OSCs中PCE值最高的。作为对照，TTC-F: L8-BO共混物的PCE为15.1%，FF为0.67。在Cl-BTA3系统中，TTC-F- bdf的PCE达到了11.2%，而TTC-F (PCE = 10.0%)，这归功于改进的FF （0.74 vs 0.65）。此外，用便宜的BDF装置代替BDT也有助于降低生产成本。这项工作提供了一种简单有效的分子设计策略来优化膜形态，以实现含羧酸光伏聚合物的效率突破。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Macromolecules 工程技术-高分子科学

CiteScore

9.30

自引率

16.40%

发文量

942

审稿时长

2 months

期刊介绍： Macromolecules publishes original, fundamental, and impactful research on all aspects of polymer science. Topics of interest include synthesis (e.g., controlled polymerizations, polymerization catalysis, post polymerization modification, new monomer structures and polymer architectures, and polymerization mechanisms/kinetics analysis); phase behavior, thermodynamics, dynamic, and ordering/disordering phenomena (e.g., self-assembly, gelation, crystallization, solution/melt/solid-state characteristics); structure and properties (e.g., mechanical and rheological properties, surface/interfacial characteristics, electronic and transport properties); new state of the art characterization (e.g., spectroscopy, scattering, microscopy, rheology), simulation (e.g., Monte Carlo, molecular dynamics, multi-scale/coarse-grained modeling), and theoretical methods. Renewable/sustainable polymers, polymer networks, responsive polymers, electro-, magneto- and opto-active macromolecules, inorganic polymers, charge-transporting polymers (ion-containing, semiconducting, and conducting), nanostructured polymers, and polymer composites are also of interest. Typical papers published in Macromolecules showcase important and innovative concepts, experimental methods/observations, and theoretical/computational approaches that demonstrate a fundamental advance in the understanding of polymers.