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Hamada, Fumiya
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article
Diketopyrrolopyrrole-Based Chlorinated Bithiophene Polymers for Organic Solar Cells
Abstract
<p class="articleBody_abstractText">Although diketopyrrolopyrrole (DPP)conjugated polymers have been successfully explored in fullerene organicphotovoltaics (OPVs) with high power conversion efficiency (PCE), theirnonfullerene acceptor organic photovoltaics (NFOPVs) remain lessinvestigated. Herein, we developed DPP-based polymers containingmonochlorinated bithiophene (DPP2ThCl and DPP2PyCl), where the DPP unitwas flanked by either thiophene or pyridine, respectively. DPP2ThClshowed a more extended photoabsorption and lower exciton binding energyin comparison to DPP2PyCl. The OPVs of these polymers blended with ITIC,IT-4F, Y6, and PC<sub>71</sub>BM revealed a PCE of 5.15% forDPP2ThCl:Y6, whereas the other blend gave lower values (0.07–4.07%). Thesuperiority of DPP2ThCl:Y6 was rationalized by its enhanced planarityand crystallinity, smooth layer morphology, a low Flory–Hugginsinteraction parameter, and improved charge transport characteristics. Wefurther analyzed the PCEs of all the blends by using machine learning,which identified the offset of highest occupied molecular orbitalenergies of donors and acceptors as the most important property. Thesefindings highlight the importance of the structural manipulation ofDPP-based polymers to improve the PCE of NFOPVs.</p>