Crystalline Accommodation Law Modeling for the Structure of Inorganic Perovskite Halides Used in Solar Cells

Document Type : Original Article

Authors

Applied Physics, Faculty of Science, Portsaid university, Portsaid, Egypt

Abstract

Perovskite halides are very important materials used in solar cell manufacturing. The efficiencies of perovskite solar cell have increased from 3.8 % to more than 25 % within the last 11 years. Several models were developed to predict the perovskites formability such as; Goldschmidt tolerance factor (t), Rohere octahedral factor (μ), t-μ 2D structure map and finally the new tolerance factor (). All the previous models are empirical and geometrical and have no theoretical basis. In addition these models cannot predict the formation of perovskite structure. Crystalline accommodation law (CAL) by Tarek El Ashram could explain successfully the crystal structure of crystalline materials in terms of their valence electron concentrations (VEC). Therefore the aim of this work is to use CAL for modeling perovskite halide structures. Here we show that CAL is succeeded in prediction of the perovskite halide structures as the following; all the perovskite halides are formed at VEC = 4.8 and most of them crystallize in three systems; cubic, hexagonal and orthorhombic with the number of filled zones in the valence band (V_F/V_B )=12,24 and 48 respectively. We also found the most suitable IPH compounds for solar cells applications are orthorohmbic compounds that have minimum EF, minimum VB and the maximum number of filled zones in the valence band.

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Alfarama Journal of Basic & Applied Sciences
Volume 5, Issue 1
Special Issue
January 2024
Pages 125-133

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