Trifluoromethyl-Substituted Large Band-Gap Polytriphenylamines for Polymer Solar Cells with High Open-Circuit Voltages

Two large band-gap polymers (PTPACF and PTPA2CF) based on polytriphenylamine derivatives with the introduction of electron-withdrawing trifluoromethyl groups were designed and prepared by Suzuki polycondensation reaction. The chemical structures, thermal, optical and electrochemical properties were characterized in detail. From the UV-visible absorption spectra, the PTPACF and PTPA2CF showed the optical band gaps of 2.01 and 2.07 eV, respectively. The cyclic voltammetry (CV) measurement displayed the deep highest occupied molecular orbital (HOMO) energy levels of −5.33 and −5.38 eV for PTPACF and PTPA2CF, respectively. The hole mobilities, determined by field-effect transistor characterization, were 2.5 × 10(−3) and 1.1 × 10(−3) cm(2) V(−1) S(−1) for PTPACF and PTPA2CF, respectively. The polymer solar cells (PSCs) were tested under the conventional device structure of ITO/PEDOT:PSS/polymer:PC(71)BM/PFN/Al. All of the PSCs showed the high open circuit voltages (V(oc)s) with the values approaching 1 V. The PTPACF and PTPA2CF based PSCs gave the power conversion efficiencies (PCEs) of 3.24% and 2.40%, respectively. Hence, it is a reliable methodology to develop high-performance large band-gap polymer donors with high V(oc)s through the feasible side-chain modification.