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Lead-free 3D hybrid perovskites based on an aziridinium cation
Inorganic Chemistry Frontiers ( IF 6.1 ) Pub Date : 2023-10-02 , DOI: 10.1039/d3qi00872j
Olesia I. Kucheriv 1 , Valerii Y. Sirenko 1 , Hanna R. Petrosova 1 , Vadim A. Pavlenko 1 , Sergiu Shova 2 , Il'ya A. Gural'skiy 1
Inorganic Chemistry Frontiers ( IF 6.1 ) Pub Date : 2023-10-02 , DOI: 10.1039/d3qi00872j
Olesia I. Kucheriv 1 , Valerii Y. Sirenko 1 , Hanna R. Petrosova 1 , Vadim A. Pavlenko 1 , Sergiu Shova 2 , Il'ya A. Gural'skiy 1
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3D hybrid organic–inorganic halide perovskites attract considerable attention due to their outstanding physical properties and promising applications in photovoltaics and light-emitting diodes. Lead-based hybrid perovskites are currently the most studied and applied materials; however, the very high toxicity of lead creates the demand for less toxic lead-free analogues. This paper describes the synthesis and detailed characterization of new 3D tin-based hybrid perovskites with an aziridinium cation (AzrH)SnX3 (where AzrH = aziridinium and X = Cl, Br or I). All of the obtained perovskites undergo temperature-induced crystallographic phase transitions at low temperatures. (AzrH)SnBr3 and (AzrH)SnI3 are cubic at room temperature, while upon cooling, they transit into an orthorhombic phase. (AzrH)SnCl3 is orthorhombic at room temperature and reduces its symmetry to two different monoclinic phases upon two consequent transitions. Crystallographic experiments allowed us to obtain ordered structures of the aziridinium cation for the first time. UV-vis measurements showed that (AzrH)SnX3 perovskites exhibit absorption edges, characteristic of semiconducting materials. The optical band gaps of the obtained compounds were found to be 3.48 eV (Cl), 2.46 eV (Br) and 1.54 eV (I) according to Tauc plots. Thus, the discovered compounds form a new group of 3D semiconducting lead-free perovskites that can widen the range of suitable materials for the production of solar cells and light-emitting diodes.
中文翻译：
基于氮丙啶阳离子的无铅 3D 杂化钙钛矿
3D杂化有机-无机卤化物钙钛矿由于其出色的物理性能以及在光伏和发光二极管方面的广阔应用前景而受到广泛关注。铅基杂化钙钛矿是目前研究和应用最多的材料；然而，铅的毒性非常高，因此需要毒性较小的无铅类似物。本文描述了具有氮丙啶阳离子 (AzrH)SnX 3（其中 AzrH = 氮丙啶且 X = Cl、Br 或 I）的新型 3D 锡基杂化钙钛矿的合成和详细表征。所有获得的钙钛矿在低温下都会经历温度诱导的晶体相变。(AzrH)SnBr 3和(AzrH)SnI 3在室温下为立方体，而在冷却时，它们转变为斜方相。(AzrH)SnCl 3在室温下为斜方晶系，并在随后的两次转变后将其对称性降低为两个不同的单斜晶相。晶体学实验使我们首次获得了氮丙啶阳离子的有序结构。紫外-可见光测量表明(AzrH)SnX 3钙钛矿表现出吸收边，这是半导体材料的特征。根据Tauc图，所得化合物的光学带隙为3.48eV(Cl)、2.46eV(Br)和1.54eV(I)。因此，所发现的化合物形成了一组新的3D半导体无铅钙钛矿，可以扩大用于生产太阳能电池和发光二极管的合适材料的范围。
更新日期：2023-10-02
中文翻译：
基于氮丙啶阳离子的无铅 3D 杂化钙钛矿
3D杂化有机-无机卤化物钙钛矿由于其出色的物理性能以及在光伏和发光二极管方面的广阔应用前景而受到广泛关注。铅基杂化钙钛矿是目前研究和应用最多的材料；然而，铅的毒性非常高，因此需要毒性较小的无铅类似物。本文描述了具有氮丙啶阳离子 (AzrH)SnX 3（其中 AzrH = 氮丙啶且 X = Cl、Br 或 I）的新型 3D 锡基杂化钙钛矿的合成和详细表征。所有获得的钙钛矿在低温下都会经历温度诱导的晶体相变。(AzrH)SnBr 3和(AzrH)SnI 3在室温下为立方体，而在冷却时，它们转变为斜方相。(AzrH)SnCl 3在室温下为斜方晶系，并在随后的两次转变后将其对称性降低为两个不同的单斜晶相。晶体学实验使我们首次获得了氮丙啶阳离子的有序结构。紫外-可见光测量表明(AzrH)SnX 3钙钛矿表现出吸收边，这是半导体材料的特征。根据Tauc图，所得化合物的光学带隙为3.48eV(Cl)、2.46eV(Br)和1.54eV(I)。因此，所发现的化合物形成了一组新的3D半导体无铅钙钛矿，可以扩大用于生产太阳能电池和发光二极管的合适材料的范围。
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