Hybrid halide perovskites are an emerging class of photovoltaic materials, boasting high solar efficiencies from relatively simple preparations. However, the chemical diversity of the A-site organic cation is limited, generally due to steric constraints of the (PbI₃)⁻ cage. Herein we describe the use of a non-benzenoid Hückel aromatic, (C₃H₃)⁺, as a viable alternative to the readily employed methylammonium, formamidinium, and guanidinium A-site cations. (C₃H₃)⁺ may lead to greater moisture stability due to the lack of an acidic proton relative to the current (H–NR₃)⁺-based systems while still boasting a narrow electronic band gap (E_g = 1.5 eV) and mobile holes and electrons (m_h^* = −1.27 and m_e^* = 0.77, respectively).

中文翻译：

---

环丙烯（C ₃ H ₃）⁺作为混合卤化物钙钛矿体系结构的芳族替代性A-位阳离子

杂化卤化物钙钛矿是一类新兴的光伏材料，通过相对简单的制备就具有很高的太阳能效率。但是，通常由于（PbI ₃）^-笼的空间限制，A位有机阳离子的化学多样性受到限制。在本文中，我们描述了使用非苯甲酸酯类Hückel芳香族化合物（C ₃ H ₃）⁺作为可行的甲基铵盐，甲ami盐和胍A位阳离子的替代方法。（C ₃ H ₃）⁺可能由于相对于电流（H–NR ₃）⁺缺乏酸性质子而导致更高的水分稳定性。的系统，同时仍具有较窄的电子带隙（E _g = 1.5 eV）以及可移动的空穴和电子（分别为m _h ^* = -1.27和m _e ^* = 0.77）。