A benzotrithiophene - based low band gap polymer for polymer solar cells with high open - circuit voltage †
نویسندگان
چکیده
novel electron-rich fused aromatic unit, namely benzo[1,2-b:3,4b’:5,6-d’’]trithiophene (BTT), which holds promise as a building block for semiconductor materials. In comparison with the wellknown benzo[1,2-b:4,5-b’]dithiophene (BDT), quantumchemical calculations (B3LYP/6-31G*) predict the BTT unit to 40 be of similar donor strength. Thus, with R being alkyl chains, BTT is predicted to act as a weak donor and form suitable D-A copolymers with moderate band gaps and low HOMO values when copolymerised with strong acceptors such as 2,1,3benzothiadiazole (BT). The larger BTT unit is expected to be 45
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