Meso -Crowned Porphyrin as a Dual Cavity Hybrid Macrocycle for Improving the Efficiency and Stability of Perovskite Solar Cells

Abstract
Perovskite solar cells (PSCs) have achieved remarkable power conversion efficiencies (PCEs) and cost-effective fabrication processes. However, defects in the bulk and interfaces of perovskite materials, as well as Li+ migration (especially in n–i–p regular architecture), which are used to enhance the conductivity and hole mobility of spiro-OMeTAD, can significantly impact device performance and stability. Herein, we report a rationally designed meso -crowned porphyrin derivative ( [12]-C-4POR ) featuring dual macrocyclic binding sites, i.e., a porphyrin core for undercoordinated Pb2 + and a crown ether unit selective for Li+ to suppress surface defects and mitigate lithium-ion migration simultaneously. The incorporation of [12]-C-4POR into perovskite films significantly reduced the trap-state density and suppressed non-radiative recombination, leading to improved charge-carrier dynamics. Devices treated with [12]-C-4POR delivered a champion PCE of 23.14%, surpassing the control device (21.6%), along with enhanced open-circuit voltage (VOC ) and fill factor (FF). More importantly, the passivated devices retained ∼ 95% of their initial PCE after 800 h of continuous operation, compared to ∼ 55% for the control. This study demonstrates a dual-site host–guest passivation strategy as an effective route to improve both efficiency and operational stability of PSCs.
Description
Keywords
Citation
Adv. Sci. 2026, 13, e22461. https://doi.org/10.1002/advs.202522461
Related research dataset