https://scholars.lib.ntu.edu.tw/handle/123456789/638866
標題: | Unraveling the Structure-Property-Performance Relationships of Fused-Ring Nonfullerene Acceptors: Toward a C-Shaped ortho-Benzodipyrrole-Based Acceptor for Highly Efficient Organic Photovoltaics | 作者: | Xue, Yung Jing Lai, Ze Yu Lu, Han Cheng Hong, Jun Cheng Tsai, Chia Lin Huang, Ching Li Huang, Kuo Hsiu Lu, Chia Fang YU-YING LAI Hsu, Chain Shu Lin, Jhih Min Chang, Je Wei Chien, Su Ying Lee, Gene Hsiang Jeng, U. Ser Cheng, Yen Ju |
公開日期: | 10-一月-2024 | 卷: | 146 | 期: | 1 | 來源出版物: | Journal of the American Chemical Society | 摘要: | The high-performance Y6-based nonfullerene acceptors (NFAs) feature a C-shaped A-DA’D-A-type molecular architecture with a central electron-deficient thiadiazole (Tz) A’ unit. In this work, we designed and synthesized a new A-D-A-type NFA, termed CB16, having a C-shaped ortho-benzodipyrrole-based skeleton of Y6 but with the Tz unit eliminated. When processed with nonhalogenated xylene without using any additives, the binary PM6:CB16 devices display a remarkable power conversion efficiency (PCE) of 18.32% with a high open-circuit voltage (Voc) of 0.92 V, surpassing the performance of the corresponding Y6-based devices. In contrast, similarly synthesized SB16, featuring an S-shaped para-benzodipyrrole-based skeleton, yields a low PCE of 0.15% due to the strong side-chain aggregation of SB16. The C-shaped A-DNBND-A skeleton in CB16 and the Y6-series NFAs constitutes the essential structural foundation for achieving exceptional device performance. The central Tz moiety or other A’ units can be employed to finely adjust intermolecular interactions. The single-crystal X-ray structure reveals that ortho-benzodipyrrole-embedded A-DNBND-A plays an important role in the formation of a 3D elliptical network packing for efficient charge transport. Solution structures of the PM6:NFAs detected by small- and wide-angle X-ray scattering (SWAXS) indicate that removing the Tz unit in the C-shaped skeleton could reduce the self-packing of CB16, thereby enhancing the complexing and networking with PM6 in the spin-coating solution and the subsequent device film. Elucidating the structure-property-performance relationships of A-DA’D-A-type NFAs in this work paves the way for the future development of structurally simplified A-D-A-type NFAs. |
URI: | https://scholars.lib.ntu.edu.tw/handle/123456789/638866 | ISSN: | 00027863 | DOI: | 10.1021/jacs.3c11062 |
顯示於: | 高分子科學與工程學研究所 |
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