Studies of organometallic perovskite solar cells have remarkably progressed within several years, but there still remain concerns of poor stability and insufficient power conversion efficiency (PCE). To overcome these limitations, modification of the perovskite material should be addressed. Herein, imidazole (C₃H₄N₂) is demonstrated as an A‐site solute for the conventional methyl‐ammonium lead iodide (CH₃NH₃PbI₃). As an aromatic hydrocarbon and diamine species with a small ionic radius, imidazole is appropriately alloyed and the bond interactions within the ABX₃ lattice are increased. Also, the nature of delocalized π bonding and the unique structure of imidazole allow the formation of an unprecedented kind of hybrid perovskite exhibiting favorable band alignment and optical propertie with high electrical conductivity. Optimal content of imidazole incorporated into CH₃NH₃PbI₃ with architectural optimization of the device leads to improved PCEs approaching 20.2% (reverse) with small hysteresis (forward PCE = 19.0%). Furthermore, properly alloyed imidazole into the A‐site of CH₃NH₃PbI₃ leads to extra stability against air, light, and heat. Lastly, devices with a large active area of 2 cm² exhibit PCEs as high as 16.8%, further addressing the effect of imidazole on the formation of high quality nanostructured perovskite and devices.

中文翻译：

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芳族二胺分子作为钙钛矿型太阳能电池的A-现场溶质

几年来，有机金属钙钛矿太阳能电池的研究取得了显着进展，但仍然存在稳定性差和功率转换效率（PCE）不足的担忧。为了克服这些限制，应该解决钙钛矿材料的改性问题。在此，咪唑（C ₃ H ₄ N ₂）被证明是常规甲基铵碘化铅（CH ₃ NH ₃ PbI ₃）的A位溶质。作为离子半径小的芳烃和二胺类物质，咪唑经过适当的合金化处理，ABX ₃内的键相互作用晶格都增加了。而且，离域π键的性质和咪唑的独特结构允许形成空前的杂化钙钛矿，其表现出有利的带取向和具有高导电性的光学特性。通过装置的结构优化，结合到CH ₃ NH ₃ PbI _3中的咪唑的最佳含量可以使PCE接近20.2％（反向），并且具有较小的滞后（正向PCE = 19.0％）。此外，将咪唑适当地掺入CH ₃ NH ₃ PbI ₃的A部位会导致对空气，光线和热量的额外稳定性。最后，有效面积为2 cm ^2的设备 展示了高达16.8％的PCE，进一步解决了咪唑对高质量纳米结构钙钛矿和器件形成的影响。