Polycyclic Arenes Dihydrodinaphthopentacene‐based Hole‐Transporting Materials for Perovskite Solar Cells Application

In this paper, two D‐π‐D type compounds, C1 and C2, containing dihydrodinaphthopentacene (DHDNP) as a π‐bridge, p‐methoxydiphenylamine and p‐methoxytriphenylamine groups as the donor groups were synthesized. The four 4‐hexylphenyl groups at the sp3‐carbon bridges of DHDNP were acquainted with control morphology and improving solubility. The light absorption, energy level, thermal properties, and application as hole‐transporting materials in perovskite solar cells of these compounds were fully investigated. The HOMO/LUMO levels and energy gaps of these DHDNP‐based molecules are suitable for use as hole‐transporting materials in PSCs. The best power conversion efficiencies of the PVSCs based on the C1 and C2 are 15.96% and 12.86%, respectively. The performance of C1 is comparable to that of the reference compound spiro‐OMeTAD (16.38%). Compared with spiro‐OMeTAD, the C1‐based PVSC device showed good stability, which was slightly decreased to 98.68% of its initial efficiency after 48 h and retained 81% of its original PCE after 334 h without encapsulation. These results reveal the potential usefulness of the DHDNP building block for further development of economical and highly efficient HTMs for PVSCs. Two arylamine‐based hole‐transporting materials with dihydrodinaphthopentacene (DHDNP) π‐linker have been synthesized and tested for perovskite solar cells. The optimized device based on C1 exhibits a PCE of 15.96%, which was reached ∼97% with respect to that of spiro‐OMeTAD‐based device fabricated under similar condition, and surpassing the C2‐based cell (12.86%).