Abstract

Effort is done to design high-performance small molecule electron acceptors for organic solar cells. Herein, we have designed four acceptor molecules with different donor moiety (triphenylamine, carbazole, indoline and coumarin), thiazolothiazole as π-spacer and cyanoacrylic acid as acceptor. The structure–property relationship was studied then the effect of structure modification on the electronic and optical properties of these acceptors was determined systematically. All acceptor molecules were tested against two donors viz. poly(3-hexylthiophene-2,5-diyl) (P3HT) and poly(dithieno[3,2-b:2,3-d]pyrrole thiophene) (PDTPr-T). These newly designed compounds displayed high open-circuit voltage (eVOC) values compared to phenyl-C61-butyric acid methyl ester (PCBM). In the case of PDTPr-T donor, all acceptor molecules showed balanced properties. For P3HT as donor, all designed acceptors showed low energetic driving force (ΔE) to overcome exciton binding energy.

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