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Here in, we have designed two new unfused non-fullerene small molecules using asymmetric benzo[1,2-b:3.4-b', 6,5-b"]trithiophene (BTT) as the central donor core and different terminal units i. e., 2-(3-oxo-2,3-dihydro-1H-inden-1-ylidene)malononitrile (NFA-4) and 1,3-diethyl-2-thioxodi hydropyrimidine-4,6 (1H,5H)-dione (NFA-5) and examined their optical and electrochemical properties. Using a wide band-gap copolymer D18, organic solar cells (OSCs) based on bulk heterojunction of D18:NFA-4 and D18:NFA-5 showed overall power conversion efficiency (PCE) of about 17.07 % and 11.27 %, respectively. The increased PCE for the NFA-4-based OSC, compared to NFA-5 counterpart, is due higher value of short circuit current (J SC ), open circuit voltage (V OC ), and fill factor (FF). Following the addition of small amount of NFA-5 to the binary bulk heterojunction D18:NFA-4, the ternary organic solar cells attained a PCE of 18.05 %, surpassing that of the binary counterparts due to the higher values of which is higher than that for the binary counterparts and attributed to the increased values of J SC , FF, and V OC . The higher value of J SC is linked to the efficient use to excitons transferred from NFA-5 to NFA-4 with a greated dipole moment than NFA-5 and subsequently dissociated into a free charge carrier efficiently., (© 2024 Wiley-VCH GmbH.)

We have designed a new medium bandgap non-fullerene small-molecule acceptor consisting of an IDT donor core flanked with 2-(6-oxo-5,6-dihydro-4 H -cyclopenta[ c ]-thiophene-4-ylidene) malononitrile (TC) acceptor terminal groups ( IDT-TC ) and compared its optical and electrochemical properties with the IDT-IC acceptor. IDT-TC showed an absorption profile from 300 to 760 nm, and it has an optical bandgap of 1.65 eV and HOMO and LUMO energy levels of -5.55 and -3.83 eV, respectively. In contrast to IDT-IC, IDT-TC has an upshifted LUMO energy level, which is advantageous for achieving high open-circuit voltage. Moreover, IDT-TC showed higher crystallinity and high electron mobility than IDT-IC. Using a wide bandgap D-A copolymer P as the donor, we compared the photovoltaic performance of IDT-TC , IDT-IC, and IDT-IC-Cl nonfullerene acceptors (NFAs). Polymer solar cells (PSCs) using P: IDT-TC , P: IDT-IC, and P:IDT-IC-Cl active layers achieved a power conversion efficiency (PCE) of 14.26, 11.56, and 13.34%, respectively. As the absorption profiles of IDT-IC-Cl and IDT-TC are complementary to each other, we have incorporated IDT-TC as the guest acceptor in the P: IDT-IC-Cl active layer to fabricate the ternary (P: IDT-TC : IDT-IC-Cl) PSC, demonstrating a PCE of 16.44%, which is significantly higher than that of the binary BHJ devices. The improvement in PCE for ternary PSCs is attributed to the efficient exploitation of excitons via energy transfer from IDT-TC to IDT-IC-Cl, suitable nanoscale phase separation, compact stacking distance, and more evenly distributed charge transport., Competing Interests: The authors declare no competing financial interest., (© 2023 The Authors. Published by American Chemical Society.)