Strategic modulation of heterocyclic donors in binaphthyl acrylonitrile-based hole transport materials for perovskite solar cells: a DFT and machine learning investigation
Hole transport materials (HTMs) play a crucial role in perovskite solar cells (PSCs) by facilitating efficient charge extraction, suppressing interfacial recombination, and enhancing device stability. Here, a series of binaphthyl acrylonitrile-based organic chromophores (BNPD1–BNPD5) with heterocyclic donor moieties at...