New amorphous small molecules—Synthesis, characterization and their application in bulk heterojunction solar cells

We successfully synthesized a series of novel solution processible small molecules (2TAPM, 4TAPM and 2BTAPM) consisting of electron-accepting unit (2-pyran-4-ylidenemalononitrile) (PM) and electron-donating unit (Triphenylamine and different thiophene units). Differential scanning calorimetry (DSC) measurement indicates that these small molecules are amorphous. UV–vis absorption spectra show that the combination of PM with moieties having gradually increased electron-donating ability results in an enhanced intramolecular charge transfer (ICT) transition, leading to an extension of the absorption spectral range and a reduction of the band gap of the molecules. Both cyclic voltammetry measurement and theoretical calculations show that the highest occupied molecular orbital (HOMO) energy levels of the molecules could be fine-tuned by changing the electron-donating ability of the electron-donating moieties. The bulk heterojunction (BHJ) photovoltaic devices with a structure of ITO/PEDOT:PSS/small molecules:PC71BM/LiF/Al were fabricated by using the small molecules as donors and (6,6)-phenyl C71-butyric acid methyl ester (PC71BM) as acceptor. Power conversion efficiencies of 1.76% and 2.47% were achieved for the photovoltaic devices based on 2TAPM:PC71BM and 4TAPM:PC71BM under simulated air mass 1.5 global irradiation (100 mW/cm2), respectively.

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► We successfully synthesized a series of novel solution processible small molecules (2TAPM, 4TAPM, and 2BTAPM).
► Differential scanning calorimetry measurement indicated that these small molecules were amorphous.
► The band gap and energy levels were fine-tuned by adjusting the molecular structure.
► A relatively high power conversion efficiency of 2.47% was achieved for photovoltaic devices based on 4TAPM:PC71BM.