Abstract
Three new donor–acceptor copolymers (PCDTBSe, PCDTFBSe, and PCDTDFBSe) were designed and synthesized with 2,7-carbazole as the donor (D) unit and benzoselenadiazole (BSe), monofluoro-benzoselenadiazole, and difluoro-benzoselenadiazole as the acceptor (A) units, respectively. The structure–property relationship of these polymers was elucidated in bulk heterojunction polymer solar cells. All the polymers were fully characterized and exhibited good thermal stability and broad absorption. The highest occupied molecular orbitals (HOMOs) of the PCDTBSe (−5.29 eV), PCDTFBSe (−5.32 eV), and PCDTDFBSe (−5.35 eV) were decreased by incorporating fluorine atoms on the polymer backbone. The low-lying HOMO energy level suggested that the polymers would exhibit high open circuit voltage (
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