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Effective design of A-D-A small molecules for high performance organic solar cells via F atom substitution and thiophene bridge

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Abstract Three novel small molecules with acceptor-donor-acceptor (A-D-A) configuration, SBDT1 , SBDT2 and SBDT3 , where 4,8-bis(octyloxy)benzo[1,2-b:4,5-b']dithiophene (BDT) as the electron-donating core connecting to thiophene-substituted benzothiadiazole (BT) as electron-withdrawing are… Click to show full abstract

Abstract Three novel small molecules with acceptor-donor-acceptor (A-D-A) configuration, SBDT1 , SBDT2 and SBDT3 , where 4,8-bis(octyloxy)benzo[1,2-b:4,5-b']dithiophene (BDT) as the electron-donating core connecting to thiophene-substituted benzothiadiazole (BT) as electron-withdrawing are reported. The effects of fluorine atoms on the photophysical properties by introducing different fluorine atoms into the benzothiadiazole unit were investigated. These SBDTs exhibit good thermal stability, excellent panchromatic absorption in solution and film. SBDT2 and SBDT3 with fluorine-substituted BT possess a relatively deeper the highest occupied molecular orbital (HOMO). These A-D-A type molecules were treated as donor and PC 71 BM as acceptor in bulk heterojunction (BHJ) small-molecule organic solar cells (SMOSCs). Among them, device based on SBDT2 gave the best device performance with a PCE of 5.06% with J sc of 10.56 mA/cm 2 , V oc of 0.85 V, fill factor ( FF ) of 56.4%. These studies indicate that proper incorporation of fluorine atoms is an effective way to increase the efficiency of organic solar cells.

Keywords: solar cells; thiophene; performance; organic solar; fluorine; small molecules

Journal Title: Chinese Chemical Letters
Year Published: 2019

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