Mitigating Carrier and Energy Losses via Interface Modulator Toward High‐Performance Perovskite Solar Cells

Interface engineering has become the main force in reforming the photogenerated carrier and energy losses in perovskite solar cells (PSCs). Here, a multifaceted hole-selective molecule C-DPT, is designed and synthesized with methoxy-triphenylamine-carbazole and diphenyl-triazine units, which is employed as the interface modulator between perovskite and hole transport layer. The introduction of C-DPT endows the perovskite/hole transport layer heterojunction with a more flat physical contact, lower trap density, and faster hole extraction. The combined theoretical and experimental results decipher that C-DPT possessing the compatible contact and favorable perovskite binding ability can efficiently boost the interfacial defect restoration, compensate the interfacial energetic offset, and promote the interfacial carrier transportation. As a result, C-DPT-modified PSC delivers a champion power conversion efficiency of 24.02% in conjunction with the pronouncedly improved long-term ambient, thermal, and humidity stability.