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Manipulating molecular aggregation and crystalline behavior of A-DA'D-A type acceptors by side chain engineering in organic solar cells
Aggregate ( IF 13.9 ) Pub Date : 2022-02-23 , DOI: 10.1002/agt2.183 Wei Liu 1 , Rui Zhang 2 , Qingya Wei 1 , Can Zhu 1, 3 , Jun Yuan 1 , Feng Gao 2 , Yingping Zou 1
Aggregate ( IF 13.9 ) Pub Date : 2022-02-23 , DOI: 10.1002/agt2.183 Wei Liu 1 , Rui Zhang 2 , Qingya Wei 1 , Can Zhu 1, 3 , Jun Yuan 1 , Feng Gao 2 , Yingping Zou 1
Affiliation
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Alkyl chains engineering plays an important role in photovoltaic materials for organic solar cells. Herein, three A-DA'D-A (acceptor–donor–acceptor'–donor–acceptor) type acceptors named Y6, Y6-C4, and Y6-C5 with different branching position on the pyrrole motif are discussed and the relationship between molecular aggregation, crystalline, and device performance are systematically investigated. The distance between the branching position and the main backbone affects their optical absorption and energy levels. Y6-C4 and Y6-C5 with the branching position at the fourth and fifth carbon of the alkyl chain show blue-shifted absorption and increased electrochemical bandgaps, compared with Y6 with the branching position at the second carbon of the alkyl side chain. In addition, this distance influences the molecular aggregation and crystalline behavior of the donor/acceptor blends. Compared with Y6-C4, Y6-C5 possesses a stronger crystalline and aggregate ability in the blends with a lower non-radiative energy loss, which results in a higher open circuit voltage (Voc) of 0.88 V. Finally, Y6-C5-based binary device achieved a high power conversion efficiency up to 16.73% with afill factor (FF) of 0.78. These results demonstrate that the side chain engineering is an effective strategy for tuning the molecular aggregation and crystalline to improve photovoltaic performance of the A-DA'D-A type acceptors.
中文翻译：
通过侧链工程控制有机太阳能电池中 A-DA'DA 型受体的分子聚集和结晶行为
烷基链工程在有机太阳能电池光伏材料中发挥着重要作用。在此，讨论了三种在吡咯基序上具有不同分支位置的 A-DA'DA（受体-供体-受体'-供体-受体）型受体 Y6、Y6-C4 和 Y6-C5，以及分子聚集之间的关系，系统地研究了晶体和器件性能。分支位置和主骨架之间的距离影响它们的光吸收和能级。Y6-C4 和 Y6-C5 在烷基链的第四个和第五个碳上的分支位置与在烷基侧链的第二个碳上的分支位置的 Y6 相比显示出蓝移吸收和增加的电化学带隙。此外，该距离影响供体/受体混合物的分子聚集和结晶行为。与Y6-C4相比，Y6-C5在共混物中具有更强的结晶和聚集能力，具有更低的非辐射能量损失，从而导致更高的开路电压（V oc ) 为 0.88 V。最后，基于 Y6-C5 的二元器件实现了高达 16.73% 的高功率转换效率，填充因子 (FF) 为 0.78。这些结果表明侧链工程是调节分子聚集和结晶以提高A-DA'DA型受体的光伏性能的有效策略。
更新日期：2022-02-23
中文翻译：
通过侧链工程控制有机太阳能电池中 A-DA'DA 型受体的分子聚集和结晶行为
烷基链工程在有机太阳能电池光伏材料中发挥着重要作用。在此，讨论了三种在吡咯基序上具有不同分支位置的 A-DA'DA（受体-供体-受体'-供体-受体）型受体 Y6、Y6-C4 和 Y6-C5，以及分子聚集之间的关系，系统地研究了晶体和器件性能。分支位置和主骨架之间的距离影响它们的光吸收和能级。Y6-C4 和 Y6-C5 在烷基链的第四个和第五个碳上的分支位置与在烷基侧链的第二个碳上的分支位置的 Y6 相比显示出蓝移吸收和增加的电化学带隙。此外，该距离影响供体/受体混合物的分子聚集和结晶行为。与Y6-C4相比，Y6-C5在共混物中具有更强的结晶和聚集能力，具有更低的非辐射能量损失，从而导致更高的开路电压（V oc ) 为 0.88 V。最后，基于 Y6-C5 的二元器件实现了高达 16.73% 的高功率转换效率，填充因子 (FF) 为 0.78。这些结果表明侧链工程是调节分子聚集和结晶以提高A-DA'DA型受体的光伏性能的有效策略。
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