Ionic defects at the surfaces and grain boundaries of organic–inorganic halide perovskite films are detrimental to both the efficiency and stability of perovskite solar cells (PSCs). To address this issue, we develop a series of phthalocyanine (Pc)‐based passivating agents, in which the π‐conjugated Pc macrocycle is functionalized with quaternary ammonium (QA: NR 4 + ) groups paired with different counter anions (PF 6 − , BF 4 − , TFSI − , and I − ), specifically designed for the simultaneous passivation of both negatively and positively charged defects. Incorporation of Pcs as additives into inverted type PSCs effectively reduces defect density, suppresses ion migration, improves film crystallinity, and enhances carrier transport. Consequently, nonradiative recombination is significantly suppressed, and a highest power conversion efficiency (PCE) of 22% is achieved using the Pc‐BF 4 derivative, along with improved operational stability. These results demonstrate that functionalized Pc derivatives serve as versatile defect‐passivating agents, offering a promising strategy to simultaneously improve the efficiency and long‐term operational stability of PSCs.
Ebiç et al. (Thu,) studied this question.