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

Article

Last updated: 24 Dec 2024

Subjects

-

Tags

Mathematics & computer sciences and physics.

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.

DOI

10.21608/ajbas.2023.222640.1162

Keywords

Perovskite halides, Volume of quantum state, Solar cell, Crystalline accommodation law

Authors

First Name

Ansam

Last Name

Gaber

MiddleName

-

Affiliation

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

Email

ansamgaber@sci.psu.edu.eg

City

-

Orcid

-

First Name

Zeinab

Last Name

Mohammed

MiddleName

-

Affiliation

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

Email

dr.zienbmohamad@gmail.com

City

-

Orcid

-

First Name

Eman

Last Name

Elesh

MiddleName

-

Affiliation

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

Email

eman_phs@yahoo.com

City

-

Orcid

-

First Name

Tarek

Last Name

El Ashram

MiddleName

-

Affiliation

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

Email

tnelashram@gmail.com

City

-

Orcid

-

Volume

5

Article Issue

1

Related Issue

45182

Issue Date

2024-01-01

Receive Date

2023-07-16

Publish Date

2024-01-01

Page Start

125

Page End

133

Online ISSN

2682-275X

Link

https://ajbas.journals.ekb.eg/article_323615.html

Detail API

https://ajbas.journals.ekb.eg/service?article_code=323615

Order

323,615

Type

Original Article

Type Code

947

Publication Type

Journal

Publication Title

Alfarama Journal of Basic & Applied Sciences

Publication Link

https://ajbas.journals.ekb.eg/

MainTitle

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

Details

Type

Article

Created At

24 Dec 2024