Donor–Acceptor-Type S,N-Heteroacene-Based Hole-Transporting Materials for Efficient Perovskite Solar Cells

Two new donor-acceptor (D-A)-substituted S,N-heteroacene-based molecules were developed and investigated as hole-transporting material (HTM) for perovskite solar cells (PSCs). Optical and electrochemical characterization brought out that the energy levels of both HTMs are suitable for their use in PSCs. Consequently, a power-conversion efficiency of 17.7% and 16.1% was achieved from PSCs involving the HTM-1 and HTM-2, respectively. The optoelectronic properties in terms of series resistance, conductivity, and charge carrier recombination were further examined to unfold the potential of these new HTMs. Time-resolved photoluminescence spectroscopy brought out that the hole injection from the valence band of perovskite into HTMs follows the trend, which is in accordance with the position of the highest occupied molecular orbital. Overall, our findings underline the potential of S,N-heteroacene co-oligomers as promising HTM candidates for PSCs.