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yexuqing木虫之王 (文学泰斗)
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efficient perovskite solar cells operationally stable at 100°C
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AI指导设计在100℃下稳定运行的高效钙钛矿太阳能电池 ▲ 作者：JIAHAO GUO, BOWEI LI, ZEYU ZHANG, FANG LIU, CONGYI LI, YAO WANG, ET AL. ▲链接： https://www.science.org/doi/10.1126/science.aef1620 ▲ 摘要：自首次报道以来，可稳定运行的钙钛矿太阳能电池（PSC）一直备受关注与争议。 研究组报道了一种四智能体协同人工智能（AI）框架，用于指导稳定钙钛矿光伏器件中光吸收剂、抗紫外空穴传输材料以及稳健异质界面的合理设计。通过热力学驱动的单晶生长和薄膜实验表征验证，该多智能体框架筛选出了一种高度稳定的甲脒—铯碘化铅钙钛矿FA0.92Cs0.08PbI3。 基于AI驱动的进一步建议，研究组设计了一种定制的空穴传输分子，即4'-(3,6-二甲氧基-9H-咔唑-9-基)-[1,1'-联苯]-4-基)膦酸，该分子具有优异的抗紫外能力，且将双侧金属氧化物层集成到器件结构中。在100℃下连续运行1000小时后，所设计的PSC仍能保持97%的初始效率。这成功展示了一条可行且有前景的全链条AI路径，以加速PSC的实际应用。 ▲ Abstract：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. |
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