Interfacial defects are considered to be a stumbling block in producing highly efficient perovskite solar cells (PSCs), so a more reasonable design is required for interfacial passivation materials (IPMs) to achieve further improvements in PSC performance. Here, we use fluorine atom (−F) and methoxy (−OCH₃) functional groups to modify the same molecular fragment, obtaining three kinds of IPMs named YZ-301, YZ-302, and YZ-303, respectively. Through the subtle combination of −F and −OCH₃, the fragment in YZ-302 exhibits an enhanced electronegativity, rendering the correlative IPM with a stronger interaction with the perovskite layer. As a result, YZ-302 shows the best defect passivation and hole transport effect at the interface, and the PSC based on YZ-302 treatment achieves the best efficiency approaching 24%, which is better than the reference and devices with other IPMs, and it also has excellent device stability.

中文翻译：

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通过界面钝化材料中的官能团协同效应提高钙钛矿太阳能电池的性能

界面缺陷被认为是生产高效钙钛矿太阳能电池（PSC）的绊脚石，因此需要对界面钝化材料（IPM）进行更合理的设计，以实现PSC性能的进一步提高。在这里，我们使用氟原子（-F）和甲氧基（-OCH ₃）官能团对同一分子片段进行修饰，获得三种IPM，分别命名为YZ-301、YZ-302和YZ-303。通过-F和-OCH ₃的微妙组合，YZ-302中的片段表现出增强的电负性，使得相关的IPM与钙钛矿层具有更强的相互作用。结果，YZ-302在界面处表现出最佳的缺陷钝化和空穴传输效果，基于YZ-302处理的PSC实现了接近24%的最佳效率，优于参考和具有其他IPM的器件，并且它还具有出色的设备稳定性。