Macrocyclic thiol ligand additive engineering for stable and efficient perovskite solar cells

Introducing the macrocyclic thiol ligand additive DXPSH in the preparation of perovskite . Solitary pair electrons on thiol groups can coordinate with uncoordinated Pb 2+ in perovskite, passivating ion defects and improving film quality. The electron donating effect of the benzene ring further enhances the electronegativity of thiols and enhances their coordination ability with perovskite. The perovskite solar cell prepared based on this achieved a champion efficiency of 24.03%. • By using macrocyclic thiol ligand as additive to improve the quality of perovskite. • The introduction of DXPSH successfully suppresses non radiative recombination of charge carriers. • The optimized perovskite solar cell achieved a champion efficiency of 24.03% and excellent long-term stability. Perovskite solar cells have a rapid development speed and excellent prospects, but still face performance and stability problems for practical applications. Excessive Pb 2+ defects often accompany the preparation of perovskite, which greatly affect the performance and stability of perovskite solar cells. Herein, a macrocyclic thiol ligand (DXPSH) is introduced as an additive for organic amine salt. It effectively reduces the defect density of perovskite, induces better crystal orientation of perovskite, and improves carrier lifetime. As a result, the optimized DXPSH-modified PSCs achieves a maximum power conversion efficiency of 24.03 % and good long-term stability in ambient air.