Bing-Huang JiangShakil N. AfrajYamuna EzhumalaiChun-Yen ChangYun-Hsuan YangYu-Wei SuAhmed L. AbdelhadyYu-Qi LiZhong-En ShiCHENG-LIANG LIUMing-Chou ChenHsien-Ming KaoChih-Ping Chen2024-11-052024-11-05202420507526https://www.scopus.com/record/display.uri?eid=2-s2.0-85206295883&origin=resultslisthttps://scholars.lib.ntu.edu.tw/handle/123456789/722738The ternary strategy boosts the performance of organic photovoltaics (OPVs) by optimizing light-harvesting, blend morphology, and energy level alignment. Three novel non-fullerene acceptors (NFAs), IN-DTPT-b20 (1), INF-DTPT-b20 (2), and INCl-DTPT-b20 (3), have been designed and synthesized. These NFAs feature a dithienopyrrolothiophene (DTPT)-based fused ring core with soluble branched alkyl side chains and indanone-based end groups, which are functionalized with different halogens (H, F, Cl) to modulate the electronic properties of the NFAs. A comparative study of the thermal, optical, electrochemical, and computed electronic structural properties of compounds 1-3 was conducted. We investigated the optoelectronic properties of PM6:Y6 based OPV in the presence of 1-3 as third component. Following optimization, the power conversion efficiency (PCE) of the ternary OPV based on IN-DTPT-b20 (1) was significantly enhanced from 15.17 ± 0.28% (PM6:Y6) to 16.20 ± 0.26%. Tapping-mode atomic force microscopy (AFM) and grazing-incidence wide-angle X-ray scattering (GIWAXS) analysis confirmed that incorporating IN-DTPT-b20 (1) into PM6:Y6 blend films effectively tailored the blend morphology, particularly by modulating the preferred orientation of Y6. The optimized morphology resulted in enhanced carrier mobility, reduced trap-assisted recombination, and efficient charge collection. These findings demonstrate the effectiveness of our NFA design strategy, further bolstered by the incorporation of IN-DTPT-b20 (1) as a guest acceptor, for achieving efficient OPV.false[SDGs]SDG7journal article10.1039/d4tc03335c2-s2.0-85206295883