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Updated: Dec 20, 2025

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Synergistic Effect of Alkyl Chain and Chlorination Engineering on High-Performance Nonfullerene Acceptors
Daize Mo1,2, Hui Chen1,3, Yulin Zhu1
1Shenzhen Grubbs Institute and Department of Chemistry, Southern University of Science and Technology, Shenzhen 518055, China.
Abstract:
In this work, three new nonfullerene acceptors (BTIC-BO-4Cl, BTIC-HD-4Cl, and BTIC-OD-4Cl), which comprise a central fused benzothiadiazole core and two dichlorinated end groups and substituted with different branched alkyl chains [2-butyloctyl (BO), longer 2-hexyldecyl (HD), and 2-octyldodecyl (OD)], are successfully designed and prepared. The influences of the branched alkyl chain with different lengths on the electronic/optoelectronic property, electrochemistry, and photovoltaic performance are systematically investigated. It has been revealed that BTIC-HD-4Cl, which had the medium alkyl chain (2-hexyldecyl) length, has the best photovoltaic performance when using PDBT-TF as the electron donor. The BTIC-HD-4Cl-based device shows an impressive power conversion efficiency of 14.90%, much higher than BTIC-BO-4Cl (14.45%)- and BTIC-OD-4Cl (9.60%)-based devices. All these evidence shows that the subtle changes in the alkyl substituent of these high-performance chlorinated acceptors can have a big impact on the structural order and molecular packing of the resultant nonfullerene acceptors and ultimately on the photovoltaic performance of the final solar devices.
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