The use of molecular modulators to reduce the defect density at the surface and grain boundaries of perovskite materials has been demonstrated to be an effective approach to enhance the photovoltaic performance and device stability of perovskite solar cells. Herein, we employ crown ethers to modulate perovskite films, affording passivation of undercoordinated surface defects. This interaction has been elucidated by solid-state nuclear magnetic resonance and density functional theory calculations. The crown ether hosts induce the formation of host-guest complexes on the surface of the perovskite films, which reduces the concentration of surface electronic defects and suppresses nonradiative recombination by 40%, while minimizing moisture permeation. As a result, we achieved substantially improved photovoltaic performance with power conversion efficiencies exceeding 23%, accompanied by enhanced stability under ambient and operational conditions. This work opens a new avenue to improve the performance and stability of perovskite-based optoelectronic devices through supramolecular chemistry.

中文翻译：

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冠醚调制使基于甲脒的钙钛矿太阳能电池的效率提高 23% 以上

使用分子调节剂降低钙钛矿材料表面和晶界的缺陷密度已被证明是提高钙钛矿太阳能电池光伏性能和器件稳定性的有效方法。在这里，我们使用冠醚来调节钙钛矿薄膜，从而钝化不协调的表面缺陷。这种相互作用已通过固态核磁共振和密度泛函理论计算得到阐明。冠醚主体诱导钙钛矿薄膜表面形成主客体复合物，从而降低表面电子缺陷的浓度并将非辐射复合抑制 40%，同时最大限度地减少水分渗透。因此，我们实现了光伏性能的显着提高，功率转换效率超过 23%，并在环境和操作条件下提高了稳定性。这项工作为通过超分子化学提高钙钛矿基光电器件的性能和稳定性开辟了一条新途径。