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Operationally stable perovskite solar cells (PSCs) have been sought after and debated since first being demonstrated. Here, we report a four-agent collaborative artificial intelligence (AI) to guide rational design of light absorbers, ultraviolet-resistant hole transport materials, and robust heterointerfaces for stable perovskite photovoltaics. Validated through thermodynamically driven single-crystal growth and thin-film experimental characterizations, the multiagent framework identified a highly stable formamidinium-cesium lead iodide perovskite, FA 0.92 Cs 0.08 PbI 3 . AI-driven insights further enabled the design of a customized hole transport molecule, (4′-(3,6-dimethoxy-9H-carbazol-9-yl)-1,1′-biphenyl-4-yl)phosphonic acid, with superior ultraviolet resilience, alongside dual-side metal oxide layer incorporation into the device configuration. The designed PSC can retain 97% of initial efficiency after 1000 hours of continuous operation at 100°C. This success demonstrates an accessible and promising full-chain AI route to accelerate the application of PSCs.
Guo et al. (Thu,) studied this question.