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    In: Energy & Environmental Science, Royal Society of Chemistry (RSC), Vol. 16, No. 5 ( 2023), p. 2199-2211
    Abstract: Achieving efficient exciton dissociation and high power conversion efficiency (PCE) becomes a great challenge when the open-circuit voltage ( V OC ) of organic photovoltaics (OPVs) reaches an upper limit value of 1.3 V or higher. The balanced intermolecular interactions of donor/donor (D/D), acceptor/acceptor (A/A) and donor/acceptor (D/A) determine the molecular stacking, crystallinity, morphology and subsequent exciton dissociation, but there is a lack of relevant material design guidelines to simultaneously modulate the three interactions. Herein, we rationally design a terpolymer E18 by introducing a 20% proportion of the side chain with a chlorine atom and bulky alkyl chain to the classic p-type polymer D18, and we also obtain a non-fullerene acceptor BTA3-4F by adding four fluorine atoms on the side chain of the middle D unit of A 2 –A 1 –D–A 1 –A 2 type molecule BTA3. As expected, the collaborative material design guarantees that E18:BTA3-4F achieves the balanced A/A, D/D and D/A intermolecular interactions in the blend film, resulting in tighter large-area molecular stacking and excellent vertical phase separation. Thus, the nonhalogenated solvent tetrahydrofuran (THF) processed OPV device based on E18:BTA3-4F realizes the highest PCE of 10.03% with a V OC of 1.30 V and a non-radiative energy loss (Δ E 3 ) of 0.18 eV. In contrast, the E18:BTA3 combination exhibits a V OC of 1.32 V and a Δ E 3 of 0.12 eV with an inferior PCE of 4.98%. Our results provide wide bandgap material design guidelines to optimize intermolecular interactions, and thus realize efficient exciton dissociation for the OPV devices with a V OC of 1.3 V or higher.
    Type of Medium: Online Resource
    ISSN: 1754-5692 , 1754-5706
    Language: English
    Publisher: Royal Society of Chemistry (RSC)
    Publication Date: 2023
    detail.hit.zdb_id: 2439879-2
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