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D–A Copolymer Donor Based on Bithienyl Benzodithiophene D-Unit and Monoalkoxy Bifluoroquinoxaline A-Unit for High-Performance Polymer Solar Cells
Chemistry of Materials ( IF 7.2 ) Pub Date : 2020-03-12 , DOI: 10.1021/acs.chemmater.0c00459 Chenkai Sun 1, 2 , Fei Pan 1, 2 , Beibei Qiu 1, 2 , Shucheng Qin 1, 2 , Shanshan Chen 3, 4 , Ziya Shang 1, 2 , Lei Meng 1 , Changduk Yang 4 , Yongfang Li 1, 2, 5
Chemistry of Materials ( IF 7.2 ) Pub Date : 2020-03-12 , DOI: 10.1021/acs.chemmater.0c00459 Chenkai Sun 1, 2 , Fei Pan 1, 2 , Beibei Qiu 1, 2 , Shucheng Qin 1, 2 , Shanshan Chen 3, 4 , Ziya Shang 1, 2 , Lei Meng 1 , Changduk Yang 4 , Yongfang Li 1, 2, 5
Affiliation
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Molecular frontier orbital energy level and aggregation behavior regulation of polymer donors are feasible ways to improve the photovoltaic performance of polymer solar cells (PSCs). Here, we design and synthesize a new D–A copolymer donor PBQ10 based on bithienyl benzodithiophene D-unit and monoalkoxy-substituted bifluoroquinoxaline A-unit, which shows an obviously downshifted highest occupied molecular orbital energy level in comparison with the control polymer PBQ7 with a dialkoxyphenyl substituent on the bifluoroquinoxaline A-unit. Moreover, PBQ10 exhibits more preferential face-on molecular orientation and tighter π–π stacking in the vertical direction of the substrate than PBQ7, which significantly improves the hole mobility of PBQ10 to 5.22 × 10–4 cm2 V–1 s–1 in comparison with that (1.71 × 10–4 cm2 V–1 s–1) of PBQ7. As a result, the PBQ10-based PSC with Y6 as the acceptor demonstrates an impressive power conversion efficiency (PCE) of 16.34% with simultaneously increased open-circuit voltage and fill factor, which is significantly increased compared with the PBQ7-based PSC with a PCE of 13.45% and is one of the highest PCEs in binary PSCs. The result suggests that rational side-chain optimization of the polymer donor is an efficient way to regulate the molecular energy level and self-assembly feature and thus to improve the PCE of PSCs.
中文翻译：
高性能聚合物太阳能电池的基于噻吩基苯并二噻吩D-单元和单烷氧基双氟喹喔啉A-单元的D–A共聚物供体
聚合物供体的分子前沿轨道能级和聚集行为调节是提高聚合物太阳能电池（PSC）光伏性能的可行方法。在这里，我们设计和合成了一种新的D-A共聚物供体PBQ10，它是基于联苯基苯并二噻吩D-单元和单烷氧基取代的双氟喹喔啉A-单元，与控制聚合物PBQ7相比，它明显降低了最高占据分子轨道能级。二氟喹喔啉A-单元上的二烷氧基苯基取代基。而且，与PBQ7相比，PBQ10表现出更优先的面对分子定向，并且在基板的垂直方向上具有更紧密的π-π堆积，这将PBQ10的空穴迁移率显着提高到5.22×10 –4 cm 2。V -1小号-1在与对照（1.71×10 -4厘米2 V -1小号-1 PBQ7的）。结果，以Y6为受主的PBQ10型PSC表现出16.34％的出色功率转换效率（PCE），同时开路电压和填充因子增加，与带有PBQ7的PBQ7 PSC相比，显着提高。 PCE为13.45％，是二进制PSC中最高的PCE之一。结果表明，聚合物供体的合理侧链优化是调节分子能级和自组装特征从而提高PSCs PCE的有效途径。
更新日期：2020-04-23
中文翻译：
高性能聚合物太阳能电池的基于噻吩基苯并二噻吩D-单元和单烷氧基双氟喹喔啉A-单元的D–A共聚物供体
聚合物供体的分子前沿轨道能级和聚集行为调节是提高聚合物太阳能电池（PSC）光伏性能的可行方法。在这里，我们设计和合成了一种新的D-A共聚物供体PBQ10，它是基于联苯基苯并二噻吩D-单元和单烷氧基取代的双氟喹喔啉A-单元，与控制聚合物PBQ7相比，它明显降低了最高占据分子轨道能级。二氟喹喔啉A-单元上的二烷氧基苯基取代基。而且，与PBQ7相比，PBQ10表现出更优先的面对分子定向，并且在基板的垂直方向上具有更紧密的π-π堆积，这将PBQ10的空穴迁移率显着提高到5.22×10 –4 cm 2。V -1小号-1在与对照（1.71×10 -4厘米2 V -1小号-1 PBQ7的）。结果，以Y6为受主的PBQ10型PSC表现出16.34％的出色功率转换效率（PCE），同时开路电压和填充因子增加，与带有PBQ7的PBQ7 PSC相比，显着提高。 PCE为13.45％，是二进制PSC中最高的PCE之一。结果表明，聚合物供体的合理侧链优化是调节分子能级和自组装特征从而提高PSCs PCE的有效途径。
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