Abstract
Conjugated extension of an organic optoelectronic moiety along different directions is of significance for exploring its usage in material design and understanding its structure-property relationships. In this work, three benzo[1,2-b:4,5-b']dithiophene-cored molecules were designed and synthesized by attaching donor-acceptor conjugated arms composed of thiophene and benzothiadiazole via the direction of its 2,6-position (horizontal), 4,8-position (vertical), and the both (cross), respectively. Compared with vertical linkage, the horizontal modification benefits the achievement of a red-shifted and wider absorption spectrum, a narrow bandgap and a more regular crystalline property, but a higher highest occupied molecular orbital (HOMO) energy level. Cross-shaped compound exhibits both a wide absorption spectrum and large absorption coefficients, and thus gave the largest short-circuit current density for its solar cell among three so-prepared devices.
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