Delocalized molecule surface electronic modification for enhanced performance and high environmental stability of CsPbI2Br perovskite solar cells

All-inorganic perovskites have drawn tremendous attentions in view of their superb thermal stability. However, unavoidable defects near the perovskite surface seriously hampers carrier transport and easily results in ion accumulation at the interface of perovskite layer and charge transport layer. Herein, delocalized thiazole and imidazole derivatives iodide salts functionalized on perovskite surface have been investigated comprehensively. These two salts post-treatment on perovskite could efficiently passivate traps arising from Cs+ or I− vacancies. Additionally, these highly п-conjugated delocalized molecules can contribute to the efficient charge transport and prevent ions accumulation at the interface. As a result, sulfur-contained aminothiazolium iodide (ATI) post-treated CsPbI2Br devices showed simultaneous enhanced current density and voltage due to its higher interaction with perovskite lattice, this led to a champion efficiency of 13.91% with superb fill factor of more than 80%, which exhibited dramatic enhancement compared with the control samples (10.12%). Furthermore, surface passivation with delocalized molecules could effectively stabilize CsPbI2Br phase at room temperature or 80 °C annealing in ambient condition (65% RH). Equally important, this surface passivation allowed competitive efficiency of 11.26% with a large-area device (1.00 cm2). This high kill tolerant approach provide a new route to fabricate inorganic perovskite devices with higher efficiency and stability.