通过不对称末端基团调节低成本非富勒烯受体的分子堆积,ACS Applied Energy Materials

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通过不对称末端基团调节低成本非富勒烯受体的分子堆积
ACS Applied Energy Materials ( IF 5.4 ) Pub Date : 2022-09-02 , DOI: 10.1021/acsaem.2c01831
Yi Zhang ₁ , Yan Wang ₁ , Tong Shan ₁ , Hongliang Zhong ₁

Affiliation

受益于简单的构件和简便的合成工艺，基于茚并二噻吩 (IDT) 核心和 2-(2,3-dihydro-3-oxo-1 H ) 的 IDIC 衍生物-inden-1-ylidene) 丙二腈 (IC) 末端基团自有机太阳能电池 (OSC) 中非富勒烯受体 (NFA) 的早期出现以来已被广泛研究。虽然原始的 IDIC 分子具有较低的材料成本，但其光伏性能并不令人满意。因此，这项工作通过改变末端基团和分子对称性来对 IDIC 进行修饰。与典型的 NFA 不同，其中氟化末端基团可以促进光子捕获和电荷迁移率以优化光伏特性，与具有普通 IC 基团的 IDIC-C8 相比，具有氟取代的材料 ID4F-C8 表现出较差的性能。这种出乎意料的结果通过固态的不同分子堆积来合理化，即 IDIC-C8 具有典型的三维 (3D) 网状图案，ID4F-C8 具有二维 (2D) 堆积，没有明显的 π-π 堆积。当使用具有和不具有氟取代的两个不同基团作为末端时，不对称 ID2F-C8 保留了 IDIC-C8 和 ID4F-C8 的优点，表现出强吸收、合适的能级和高度有序的堆积。因此，基于 ID2F-C8 的 OSC 设备获得了 11.67% 的最高 PCE。这一令人鼓舞的结果表明了不对称策略在开发高性能和低成本光伏材料方面的潜力。不对称的 ID2F-C8 保留了 IDIC-C8 和 ID4F-C8 的优点，表现出强吸收、合适的能级和高度有序的堆积。因此，基于 ID2F-C8 的 OSC 设备获得了 11.67% 的最高 PCE。这一令人鼓舞的结果表明了不对称策略在开发高性能和低成本光伏材料方面的潜力。不对称的 ID2F-C8 保留了 IDIC-C8 和 ID4F-C8 的优点，表现出强吸收、合适的能级和高度有序的堆积。因此，基于 ID2F-C8 的 OSC 设备获得了 11.67% 的最高 PCE。这一令人鼓舞的结果表明了不对称策略在开发高性能和低成本光伏材料方面的潜力。

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Tuning the Molecular Packing of Low-Cost Non-Fullerene Acceptors via Asymmetric Terminal Groups

Benefiting from the simple building blocks and facile synthetic processes, IDIC derivatives based on indacenodithiophene (IDT) core and 2-(2,3-dihydro-3-oxo-1H-inden-1-ylidene) propanedinitrile (IC) terminal groups have been widely studied since the early emerging of non-fullerene acceptors (NFAs) in organic solar cells (OSCs). Although the pristine IDIC molecule possesses a low material cost, its photovoltaic performance is unsatisfactory. Thus, this work conducts the modification of IDIC by alternating the terminal groups and the molecular symmetry. Differing from the typical NFAs in which the fluorinated terminal groups can promote photon harvest and charge mobility to optimize the photovoltaic properties, the material ID4F-C8 with the fluorine substitution exhibits inferior performance compared with the IDIC-C8 with the normal IC groups. Such unexpected results are rationalized by the varied molecular packing in the solid state, i.e., IDIC-C8 has a typical three-dimensional (3D) reticular motif and ID4F-C8 possesses a two-dimensional (2D) packing without an obvious π–π stacking. When two different groups with and without fluorine substitution are utilized as the terminals, the asymmetric ID2F-C8 retains both of the merits of the IDIC-C8 and ID4F-C8, exhibiting strong absorption, suitable energy levels, and highly ordered packing. Thus, the OSC device based on ID2F-C8 acquires the highest PCE of 11.67%. This encouraging result suggests the potential of the asymmetric strategy to develop high-performance and low-cost photovoltaic materials.

更新日期：2022-09-02

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