Abstract
Three novel small molecules have been developed by side-chain engineering on benzo[1,2-b:4,5-b’]dithiophene (BDT) core. The typical acceptor-donor-acceptor (A-D-A) structure is adopted with 4,8-functionalized BDT moieties as core, dioctylterthiophene as π bridge and 3-ethylrhodanine as electron-withdrawing end group. Side-chain engineering on BDT core exhibits small but measurable effect on the optoelectronic properties of small molecules. Theoretical simulation and X-ray diffraction study reveal the subtle tuning of interchain distance between conjugated backbones has large effect on the charge transport and thus the photovoltaic performance of these molecules. Bulk-heterojunction solar cells fabricated with a configuration of ITO/PEDOT:PSS/SM:PC71BM/PFN/Al exhibit a highest power conversion efficiency (PCE) of 6.99% after solvent vapor annealing.
Highlights
Benefited from the D-A alternating polymers design to achieve a good balance of suitable bandgap and and charge carrier mobility[1,2,5], small conjugated molecules with mutiple D-A chromophores have been www.nature.com/scientificreports/
Side-chain engineered BDTs 7–9 were readily obtained according to our previous report[26,28]
Three novel SMs based on alkoxy, alkylthienyl and alkylthiothienyl substituted BDT core unit were designed for photovoltaic application
Summary
Benefited from the D-A alternating polymers design to achieve a good balance of suitable bandgap and and charge carrier mobility[1,2,5], small conjugated molecules with mutiple D-A chromophores have been www.nature.com/scientificreports/. Thermogravimetric analysis (TGA) revealed the good thermal stability for these SMs. The decomposition temperature (5% weight loss) of 354, 366 and 410 °C in nitrogen was observed for DR3TBDTOC12, DR3TBDTTSC8 and DR3TBDTTC12, respectively (Fig. 2a).
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