DOI: 10.1126/sciadv.aed6327 ISSN: 2375-2548

A unified ligand-dimensional design to halt cation migration in perovskite photovoltaics

Zhipeng Miao, Shiheng Wang, Qi Pan, Jie Yu, Yapeng Shi, Yunhang Xie, Yipei Wang, Sihui Peng, Ting Zhang, Hong Lu, Hainam Do, Yiqiang Zhang, Yanlin Song, Pengwei Li

Organic cation migration, particularly that of formamidinium (FA + ), remains a major factor limiting the long-term stability of perovskite solar cells (PSCs). Low-dimensional/three-dimensional (LD/3D) heterojunctions have shown promise for mitigating this migration, yet systematic comparisons under a unified processing and scaffold framework are lacking. Here, we develop a family of pyridine-based ligands that enable the formation of structurally well-defined LD/3D heterojunctions spanning perovskite-related 2D, 1D, 1D intercalated, and 0D metal-halide motif architectures under identical processing. This platform reveals that the 2D/3D configuration uniquely couples geometric confinement with multidirectional hydrogen bonding to immobilize FA + and enhance carrier performance. Consequently, PSCs achieve a champion efficiency of 26.88% (certified 26.52%) and outstanding stability, retaining >91% initial efficiency after 1000 hours at 85°C/85% relative humidity and >94% after 2000 hours of maximum power point tracking. Large-area modules (900 square centimeters) deliver 20.25% efficiency (certified 17.75%) with negligible degradation over 4 months. This work establishes a ligand-based dimensional design platform for stable, scalable perovskite photovoltaics.

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