Rational Design of Robust Passivator for Highly Efficient and Stable Perovskite Solar Cells

Perovskite solar cells (PSCs) have rapidly progressed over the past few years, with efficiencies approaching 27%. However, the formation of detrimental defects resulting from rapid crystallization that induce the nonradiative recombination and low carrier mobility hinders further commercialization development. The use of passivators to reduce the defects in perovskite materials has been demonstrated to be an effective approach for enhancing the photovoltaic performance and long‐term stability of PSCs. Screening strategy of passivators have received increasing attention as the library of chemical passivators consistently expand. First, this concept discusses the main types of defect in perovskite materials and reviews their properties. We examine the deleterious impact of defects on device efficiency and highlight the passivation mechanism of Lewis base molecules. Second, this concept also provides an overview of passivator screening strategies, including donor–acceptor (D‐A) pair regulatory strategies and engineering spatial conformation. Finally, we propose screening direction for future research, which, in our view, will be crucial for unlocking the full potential of PSCs using the concept of defect passivation.