Interface-Directed Self-Assembled Monolayers for High-Efficiency and Scalable Inverted Wide-Bandgap Perovskite Solar...

Inverted (p-i-n) perovskite solar cells (PSCs) have attracted extensive attention owing to their low-temperature processability, reduced hysteresis, and compatibility with tandem architectures. Self-assembled monolayers (SAMs), particularly MeO-4PACz, have emerged as highly effective hole-selective contacts for promoting efficient hole extraction. However, the interfacial energetics and defect passivation capability of pristine MeO-4PACz remain suboptimal, which limits further suppression of nonradiative recombination in the PSCs. In this study, 3-BPIC-F is incorporated into MeO-4PACz to construct dipole-modulated SAMs. Systematic characterizations demonstrate that the introduction of 3-BPIC-F enhances the interfacial dipole strength, optimizes energy-level alignment, and effectively reduces defects in perovskite layers, thereby suppressing internal nonradiative recombination and facilitating selective hole extraction. As a result, the power conversion efficiency (PCE) of small-area inverted wide-bandgap PSCs (1.65 eV) is significantly improved from 21.97% to 23.64%, accompanied by concurrent enhancements in the open-circuit voltage and fill factor. Importantly, this interfacial engineering strategy is further validated at the module level, where the PCE is increased from 16.43% to 19.80%, highlighting the scalability and practical potential of 3-BPIC-F-modified MeO-4PACz SAMs.