This study demonstrates a dual-functional porphyrin-based passivation molecule, [12]-C-4POR , capable of simultaneously coordinating Pb 2+ and Li + ions through its porphyrin core and crown ether moiety, respectively. This molecule effectively reduces trap-state density, suppresses non-radiative recombination, and mitigates Li + migration at the perovskite/HTL interface, which improves both efficiency and operational stability of PSCs. 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 Pb 2+ 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 (V OC ) 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.

Thin films of a free-base porphyrin were grafted onto glassy carbon (gc) or indium tin oxide (ITO) electrodes by anodic deposition of 5,10,15,20-tetrakis(ethynylphenyl)porphyrin, H2TEPP. Metalation of...

Upon catalysis (1 mol %) by a chiral cobalt porphyrin, quinazolinones with a tethered diazo alkane precursor underwent an enantioselective C–H alkylation at carbon atom C4. Formation of five-, six-, a...