Journal
ACS APPLIED MATERIALS & INTERFACES
Volume 12, Issue 7, Pages 8475-8484Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acsami.9b20364
Keywords
copolymerization strategy; DFT and TD-DFT; photophysics; pump-probe transient absorption spectroscopy; polymer solar cells
Funding
- National Natural Science Foundation of China [61964010]
- Excellent Team of Scientific Research [201705]
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Ternary copolymerization strategy is considered an effective method to achieve high-performance photovoltaic conjugated polymers. Herein, a donor-acceptorl-donor-acceptor2-type random copolymer, named PBDTNS-TZ-BDD (T1), containing one electron-rich unit alkylthionaphthyl-flanked benzo[1,2-b/4,5-b'] di-thiophene (BDTNS) as D and two electron-deficient moieties benzo[1,2-c/4,5-c']dithiophene-4,8-dione (BDD) and fluorinated benzotriazole as A, was synthesized to investigate the excitonic dynamic effect. Also, the D-A-type alternating copolymer PBDTNS-BDD (P1) was also prepared for a clear comparison. Although the UV-Vis spectra and energy levels of PI and T1 are similar, the power conversion efficiencies (PCEs) of the related devices are 11.50% (T1/ITIC) and 8.89% (P1/ITIC), respectively. The reason for this is systematically investigated and analyzed by theoretical calculation, photoluminescence, and pump-probe transient absorption spectroscopy. The density functional theory (DFT) and time-dependent density functional theory (TD-DFT) calculation results show that the terpolymer T1 with a lower exciton binding energy and a longer lifetime of spontaneous luminescence can synergistically increase the number of excitons reaching the donor/acceptor interface. The results of the pump-probe transient absorption spectroscopy show that the yield of charge separation of T1/ITIC is higher than that of the P1/ITIC blend film, and improved PCE could be achieved via copolymerization strategies. Moreover, the fabrication of the T1-based device is also simple without any additive or postprocessing. Therefore, it provides a promising and innovative method to design high-performance terpolymer materials.
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