Efficient Cathode Buffer Material Based on Dibenzothiophene-S,S-dioxide for Both Conventional and Inverted Organic Solar Cells

[Image: see text] A novel conjugated molecule (PBSON) based on a main chain composed of bis(dibenzothiophene-S,S-dioxide) fused cyclopentadiene and side chains containing amino groups is presented as an efficient cathode buffer material (CBM) for organic solar cells (OSCs). PBSON showed a deep highest occupied molecular orbital (HOMO) energy level of −6.01 eV, which was beneficial for building hole-blocking layers at the cathodes of OSCs. The energy bandgap of PBSON reached 3.17 eV, implying high transmittance to visible and near-infrared light, which meant PBSON should be suitable for the applications to most inverted OSCs. The scanning Kelvin probe microscopy measurement and theoretical calculation on the PBSON/cathode interfacial interaction proved the excellent work function-regulating abilities of PBSON for various cathodes, suggesting that PBSON could promote the formation of Ohmic contacts at the cathodes and thus improve the transport and collection of electron carriers for OSCs. The characterization of electron-only devices demonstrated the good electron-transporting performance of PBSON at the cathodes. In the conventional OSCs, it was hinted that PBSON might restrain the infiltrations of evaporated cathode atoms into the active films, consequently reducing the reverse leakage currents. As a result, PBSON was able to boost the power conversion efficiencies (PCEs) by 58.2 and 56.4% for both conventional and inverted OSCs of the typical PTB7:PC(71)BM system, respectively, as compared to the unadorned devices. In terms of the classical PTB7-Th:PC(71)BM system, substantial increases in PCEs could also be found with PBSON interlayers, which were 54.7 and 59.8% for the conventional device and inverted device, respectively. Therefore, PBSON is a kind of promising CBM for realizing both conventional and inverted OSCs of high performance.