The passivation of surface defects at the interfaces and grain boundaries of perovskites has great potential to improve the optoelectronic properties of related devices. In this study, the small molecules LG0.5, LG1.5, and LG2.5—having precise and controllable molecular weights (various generations synthesized through click reactions) and featuring urethane, urea, and malonamide functionalities—are synthesized, and their ability to passivate the defects of perovskites are evaluated. X‐ray photoelectron spectroscopy, ultraviolet photoelectron spectroscopy, and time‐resolved photoluminescence spectroscopy are used to observe the interactions between the perovskites and these molecules. The embedding of LG0.5 promotes the growth of large‐grain perovskite crystals, leading to increases in the intensities of the UV–vis absorption and photoluminescence spectral signals of the perovskite as well as longer carrier lifetimes. A power conversion efficiency of almost 20% for a p‐i‐n perovskite solar cell having the layer structure indium tin oxide/NiO_x/CH₃NH₃PbI₃ (with LG0.5)/[6,6]‐phenyl C61 butyric acid methyl ester/bathocuproine/Ag is observed. This device (without encapsulation) exhibits excellent air‐stability, retaining 89.8% of its initial performance after storage in an ambient environment (25 °C, 40% humidity) for over 120 d.

中文翻译：

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分子量可控制的小分子钝化空气稳定的p-i-n钙钛矿太阳能电池中的表面缺陷

在钙钛矿的界面和晶界处的表面缺陷的钝化具有改善相关器件的光电性能的巨大潜力。在这项研究中，合成了小分子LG0.5，LG1.5和LG2.5，它们具有精确且可控制的分子量（通过点击反应合成的不同世代），并具有氨基甲酸酯，尿素和丙二酰胺官能度，并具有一定的能力对钝化钙钛矿的缺陷进行了评估。X射线光电子能谱，紫外光电子能谱和时间分辨光致发光光谱可用于观察钙钛矿与这些分子之间的相互作用。LG0.5的嵌入可促进大晶粒钙钛矿晶体的生长，导致钙钛矿的紫外可见吸收和光致发光光谱信号强度增加，以及载流子寿命延长。具有层状结构铟锡氧化物/ NiO的AP-N-钙钛矿型太阳能电池的功率转换效率接近20％_X / CH ₃ NH ₃碘化铅₃（带LG0.5）/ [6,6] -苯基C61丁酸甲酯/浴铜灵/银是观察。该设备（无封装）具有出色的空气稳定性，在周围环境（25°C，湿度40％）中存储120 d后，仍保持其初始性能的89.8％。