Defect-Targeted Repair for Efficient and Stable Perovskite Solar Cells Using 2-Chlorocinnamic Acid

Metal halide perovskites have appeared as a promising semiconductor for high-efficiency and low-cost photovoltaic technologies. However, their performance and long-term stability are dramatically constrained by defects at the surface and grain boundaries of polycrystalline perovskite films formed during the processing. Herein, we propose a defect-targeted passivation strategy using 2-chlorocinnamic acid (2-Cl) to simultaneously enhance the efficiency and stability of perovskite solar cells (PSCs). The crystallization kinetics, film morphology, and optical and electronic properties of the used formamidinium-cesium lead halide (FA_0.85Cs_0.15Pb(I_0.95Br_0.05)₃, FACs) absorber were modulated and systematically investigated by various characterizations. Mechanistically, the carbonyl group in 2-Cl coordinates with undercoordinated Pb²⁺ ions, while the chlorine atom forms Pb-Cl bonds, effectively passivating the surface and interfacial defects. The optimized FACs perovskite film was incorporated into inverted (p-i-n) PSCs with a typical architecture of ITO/NiO_x/PTAA/Al₂O₃/FACs/PEAI/PCBM/BCP/Ag. The optimal device delivers a champion power conversion efficiency (PCE) of 22.58% with an open-circuit voltage of 1.14 V and a fill factor of 82.8%. Furthermore, the unencapsulated devices retain 90% of their initial efficiency after storage in ambient air for 30 days and 83% of their original PCE after stress under 1 sun illumination with maximum power point tracking at 50 °C in a N₂ environment, demonstrating the practical potential of dual-site molecular passivation for durable perovskite photovoltaics.