Azeem, Waqar and Shahzad, Muhammad Khuram and Wong, Yew Hoong (2024) Rubidium zinc trioxide perovskite materials for photovoltaic solar cell applications: A first principle calculations. Heliyon, 10 (1). ISSN 2405-8440, DOI https://doi.org/10.1016/j.heliyon.2023.e23818.
Full text not available from this repository.Abstract
Perovskite materials are the well-known of solar cell applications and have excellent characteristics to study and explain the photocatalytic research. Exchange generalized gradient approximation (GGA) and Perdew-Burke-Ernzerhof-PBE correlation functionals and density functional theory (DFT)-based Cambridge Serial Total Energy Package (CASTEP) software are used to inspect the structural, electrical, mechanical, and the optical aspects of Zinc-based cubic perovskite RbZnO3. The compound is found to be in a stable cubic phase according to our study. The predicted elastic characteristics also satisfy the mechanical criterion for stability. Pugh's criterion indicates that RbZnO3 is brittle. The examination shows that the electronic band structure, RbZnO3 possesses an indirect bandgap (BG) that has 4.23eV. Findings of BG analysis agree with currently available evidence. Total and partial density of states (DOS) are used in the confirmation of degree of a localized electrons in special band. Optical transitions in compound are evaluated by adjusting damping ratio for the appropriate peaks of the notional dielectric functions. On one hand, the material is a semiconductor at absolute zero. On the other hand, the dielectric function's fictitious element dispersion illustrates the wide range of values for energy transparency. This substance might therefore be used in a solar cell to capture ultraviolet light.
| Item Type: | Article |
|---|---|
| Funders: | UNSPECIFIED |
| Uncontrolled Keywords: | Perovskite materials; Wide bandgap; Electronic properties; Elastic constants; Photovoltaic solar cell |
| Subjects: | T Technology > TJ Mechanical engineering and machinery |
| Divisions: | Faculty of Engineering > Department of Mechanical Engineering |
| Depositing User: | Ms. Juhaida Abd Rahim |
| Date Deposited: | 25 Jun 2024 05:17 |
| Last Modified: | 25 Jun 2024 05:17 |
| URI: | http://eprints.um.edu.my/id/eprint/44222 |
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