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Cyclopropenium (C3H3)+ as an Aromatic Alternative A-Site Cation for Hybrid Halide Perovskite Architectures
The Journal of Physical Chemistry C ( IF 3.3 ) Pub Date : 2018-01-17 00:00:00 , DOI: 10.1021/acs.jpcc.7b11867
Thomas W. Kasel 1 , Alexander T. Murray 2 , Christopher H. Hendon 1
Affiliation  

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 (Eg = 1.5 eV) and mobile holes and electrons (mh* = −1.27 and me* = 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)。
更新日期:2018-01-17
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