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arXiv · 1908.10462

Stability of aziridinium lead iodide perovskite: ring strain and water vulnerability

Kangze Ren·Chao Zheng·Michael A. Brook·Oleg Rubel
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Abstract

Recently, an aziridinium lead iodide perovskite was proposed as a possible solar cell absorber material. We investigated the stability of this material using a density-functional theory with an emphasis on the ring strain associated with the three-membered aziridinium cation. It is shown that the aziridinium ring is prone to opening within the PbI$_3$ environment. When exposed to moisture, aziridinium lead iodide can readily react with water. The resultant product will not likely be a stoichiometric lead halide perovskite structure.

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Kangze Ren, Chao Zheng, Michael A. Brook, Oleg Rubel. 2019-08-27. Stability of aziridinium lead iodide perovskite: ring strain and water vulnerability. https://arxiv.org/abs/1908.10462

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