Abstract
Two simple dithienosilole unit (DTS)-based nonfused small molecular acceptors (SiOC2C6–4F and SiOC2C6–4Cl) using two DTS moieties linked alkoxyl substituted benzene ring as the central core (D) and bis(5,6-difluro-3-oxo-2,3-dihydro-1H-indene-2,1-diylidene)dimalononitrile or bis(5,6-dichloro-3-oxo-2,3-dihydro-1H-indene-2,1-diylidene)dimalononitrile as the end groups have been synthesized. The optical, electrochemical properties and device photovoltaic performance of these two molecules were investigated in detail. DFT results indicates S⋯O interactions involving alkoxyl groups of benzyl rings and thienyl S atoms of DTS can act as conformational “locks” to enhance molecular planarity. when the polymer PBDB-T was chosen as the donor, the PBDB-T:SiOC2C6–4F-based device provided a high PCE of 9.68% with a Voc of 0.90 V, a Jsc of 17.02 mA/cm2 and an FF of 63.00%, while the PBDB-T:SiOC2C6–4Cl-based device exhibited a PCE of 11.29% with a Voc of 0.87V, a Jsc of 20.35 mA/cm2 and an FF of 63.73%, which is so far the best performance reported for organic photovoltaic using silole-based small-molecule acceptors.
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