Pyrido-phenazine-Based Multifunctional Interface Molecules: Construction and Mechanism of High-Efficiency and Stable Perovskite Solar Cells

Organic-inorganic hybrid perovskite solar cells (PSCs) encounter significant challenges in commercialization, primarily due to defects within the perovskite film and interface issues. In this study, we designed and synthesized two pyridine-phenazine core molecules (PPZ-TYA and PPZ-TYB) and introduced them into the antisolvent during a critical step of device fabrication, where they function as effective regulators at the interface. These molecules passivate surface defects of the perovskite through multidentate coordination and optimize the energy band alignment at the interface, thereby enhancing the charge extraction. The PSCs modified with PPZ-TYA achieved a power conversion efficiency (PCE) of 23.5% and retained 79.3% of the initial efficiency after 1000 h of aging without encapsulation at 25 °C and a relative humidity of 30-40%. This work underscores the potential of pyridine-phenazine molecules as efficient and stable interface materials for high-performance PSCs.