Enhancing Efficiency and Stability of Photovoltaic Cells by Using Perovskite/Zr‐MOF Heterojunction Including Bilayer and Hybrid Structures

In this study, the effectiveness of using a perovskite/Zr‐metal–organic frameworks (MOFs) heterojunction in realizing efficient and stable inverted p–i–n perovskite solar cells (PVSCs) is demonstrated. Two types of Zr‐MOFs, UiO‐66 and MOF‐808, are investigated owing to their respectable moisture and chemical stabilities. The MOFs while serving as an interlayer in conjunction with the perovskite film are shown to possess the advantages of UV‐filtering capability and enhancing perovskite crystallinity. Consequently, the UiO‐66/MOF‐808‐modified PVSCs yield enhanced power conversion efficiencies (PCEs) of 17.01% and 16.55%, outperforming the control device (15.79%). While further utilizing a perovskite/Zr‐MOF hybrid heterojunction to fabricate the devices, the hybrid MOFs are found to possibly distribute over the perovskite grain boundary providing a grain‐locking effect to simultaneously passivate the defects and to reinforce the film's robustness against moisture invasion. As a result, the PCEs of the UiO‐66/MOF‐808‐hybrid PVSCs are further enhanced to 18.01% and 17.81%, respectively. Besides, over 70% of the initial PCE is retained after being stored in air (25 °C and relative humidity of 60 ± 5%) for over 2 weeks, in contrast to the quick degradation observed for the control device. This study demonstrates the promising potential of using perovskite/MOF heterojunctions to fabricate efficient and stable PVSCs.