A‐π‐D‐π‐A type Small Molecules Using Ethynylene Linkages for Organic Solar Cells with High Open‐circuit Voltages

Introducing ethynylene linkages in a conjugated molecule can deepen the HOMO level, decrease the steric constraints and better delocalize the π electrons and so on, which are beneficial for organic solar cells. Furthermore, the typical method of introducing acetylene linkages by Sonogashira reactions can avoid the usage of toxic stannyl intermediates and potentially dangerous lithiation reactions. In this study, two simple small molecules BEDPP and NEDPP are designed and synthesized, in which two diketopyrrolopyrrole units are symmetrically connected to benzene and naphthalene cores, respectively, via acetylene linkages. And the BHJ (Bulk Heterojunction) solar cells based on BEDPP and NEDPP without using solvent additive and without any post‐treatment for the active layers provide us power conversion efficiencies of 1.48% and 2.31% with remarkably high open circuit voltages up to 0.90 and 0.98 V, respectively.