AI-guided design of efficient perovskite solar cells operationally stable at 100°C
Summary
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
Content
# AI-guided design of efficient perovskite solar cells operationally stable at 100°C
*Published: 2026 May 14*
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, FA0.92Cs0.08PbI3. 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.
DOI: 10.1126/science.aef1620