Organic hole transporting materials (HTMs) are extensively studied in perovskite solar cells (PSCs). The HTMs directly contact the underlying perovskite material, and they play additional roles apart from hole transporting. Developing organic HTMs with defect passivation function has been proved to be an efficient strategy to construct efficient and stable PSCs. In this work, new organic molecules with thiocarbonyl (C═S) and carbonyl (C═O) functional groups are synthesized and applied as HTMs (named FN‐S and FN‐O). FN‐S with C═S can be facilely obtained from FN‐O containing C═O. Notably, the C═S in FN‐S results in superior defect passivation ability compared to FN‐O. Moreover, FN‐S exhibits excellent hole extraction/transport capability. Conventional PSCs using FN‐S as HTM show an impressive power conversion efficiency (PCE) of 23.25%, with excellent long‐term stability and operational stability. This work indicates that simply converting C═O to C═S is an efficient way to improve the device performance by strengthening the defect passivation functionality.

中文翻译：

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具有增强缺陷钝化能力的硫代羰基空穴传输材料，用于高效稳定的钙钛矿太阳能电池


有机空穴传输材料（HTM）在钙钛矿太阳能电池（PSC）中得到广泛研究。 HTM 直接接触下面的钙钛矿材料，除了空穴传输之外，它们还发挥其他作用。开发具有缺陷钝化功能的有机HTM已被证明是构建高效稳定PSC的有效策略。在这项工作中，合成了具有硫代羰基（C=S）和羰基（C=O）官能团的新型有机分子，并将其用作 HTM（命名为 FN-S 和 FN-O）。具有C=S的FN-S可以很容易地从含有C=O的FN-O获得。值得注意的是，与 FN-O 相比，FN-S 中的 C=S 具有优异的缺陷钝化能力。此外，FN-S 表现出优异的空穴提取/传输能力。使用 FN-S 作为 HTM 的传统 PSC 显示出高达 23.25% 的令人印象深刻的功率转换效率 (PCE)，具有出色的长期稳定性和运行稳定性。这项工作表明，简单地将 C=O 转换为 C=S 是通过增强缺陷钝化功能来提高器件性能的有效方法。