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Technical Note
Online Published: 26 Sep 2025
 


Comprehensive Analysis of Optoelectronic Properties and Photovoltaic Performance of Rb2CuAsZ6 (Z = Br and Cl) Double Perovskites Using DFT and SCAPS-1D Modelling

Kamal Assiouan, Hanan Ziani, Jamal El Khamkhami, Abdelfattah Achahbar.


Abstract
Rb2CuAsZ6 (Z = Br, Cl) double perovskites were studied for their optoelectronic and photovoltaic properties using a comprehensive density functional theory (DFT) analysis. Using the HSE06 functional for electronic band structure calculations, Rb2CuAsBr6 and Rb2CuAsCl6 exhibit indirect band gaps (Eg) of 0.64 eV and 1.09 eV, respectively. Moreover, the analysis of the optical properties revealed substantial absorption (α) around 105 in both the visible and near-infrared regions, highlighting their suitability for solar cell and optoelectronic applications. Moreover, we utilised the absorber layer Rb2CuAsCl6 to construct an n-i-p structure perovskite and modelled it Using the SCAPS-1d program, this calculation was performed with a thickness of 400 nm of Rb2CuAsCl6, yielding remarkable performance: an open-circuit voltage (Voc) of 0.81 V, a short-circuit current density (Jsc) of 38.33 mA/cm², a fill factor (FF) of 68.65%, and a power conversion efficiency (PCE) of 20.63%.                              

Key words: Density Functional Theory (DFT), Double Perovskites, Rb2CuAsZ6 (Z = Br, Cl), Optoelectronic properties, solar cells.


 
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How to Cite this Article
Pubmed Style

Assiouan K, Ziani H, Khamkhami JE, Achahbar A. Comprehensive Analysis of Optoelectronic Properties and Photovoltaic Performance of Rb2CuAsZ6 (Z = Br and Cl) Double Perovskites Using DFT and SCAPS-1D Modelling. Sol. Energy Sustain. Dev.. 2025; 14(2): 91-104.

doi:10.51646/jsesd.v14iSTR2E.802

Web Style

Assiouan K, Ziani H, Khamkhami JE, Achahbar A. Comprehensive Analysis of Optoelectronic Properties and Photovoltaic Performance of Rb2CuAsZ6 (Z = Br and Cl) Double Perovskites Using DFT and SCAPS-1D Modelling. https://www.jsesd.org/?mno=302658369 [Access: November 11, 2026].

doi:10.51646/jsesd.v14iSTR2E.802

AMA (American Medical Association) Style

Assiouan K, Ziani H, Khamkhami JE, Achahbar A. Comprehensive Analysis of Optoelectronic Properties and Photovoltaic Performance of Rb2CuAsZ6 (Z = Br and Cl) Double Perovskites Using DFT and SCAPS-1D Modelling. Sol. Energy Sustain. Dev.. 2025; 14(2): 91-104.


doi:10.51646/jsesd.v14iSTR2E.802

Vancouver/ICMJE Style

Assiouan K, Ziani H, Khamkhami JE, Achahbar A. Comprehensive Analysis of Optoelectronic Properties and Photovoltaic Performance of Rb2CuAsZ6 (Z = Br and Cl) Double Perovskites Using DFT and SCAPS-1D Modelling. Sol. Energy Sustain. Dev.. (2025), [cited November 11, 2026]; 14(2): 91-104.


doi:10.51646/jsesd.v14iSTR2E.802

Harvard Style

Assiouan, K., Ziani, . H., Khamkhami, . J. E. & Achahbar, . A. (2025) Comprehensive Analysis of Optoelectronic Properties and Photovoltaic Performance of Rb2CuAsZ6 (Z = Br and Cl) Double Perovskites Using DFT and SCAPS-1D Modelling. Sol. Energy Sustain. Dev., 14 (2), 91-104.


doi:10.51646/jsesd.v14iSTR2E.802

Turabian Style

Assiouan, Kamal, Hanan Ziani, Jamal El Khamkhami, and Abdelfattah Achahbar. 2025. Comprehensive Analysis of Optoelectronic Properties and Photovoltaic Performance of Rb2CuAsZ6 (Z = Br and Cl) Double Perovskites Using DFT and SCAPS-1D Modelling. Solar Energy and Sustainable Development, 14 (2), 91-104.


doi:10.51646/jsesd.v14iSTR2E.802

Chicago Style

Assiouan, Kamal, Hanan Ziani, Jamal El Khamkhami, and Abdelfattah Achahbar. "Comprehensive Analysis of Optoelectronic Properties and Photovoltaic Performance of Rb2CuAsZ6 (Z = Br and Cl) Double Perovskites Using DFT and SCAPS-1D Modelling." Solar Energy and Sustainable Development 14 (2025), 91-104.


doi:10.51646/jsesd.v14iSTR2E.802

MLA (The Modern Language Association) Style

Assiouan, Kamal, Hanan Ziani, Jamal El Khamkhami, and Abdelfattah Achahbar. "Comprehensive Analysis of Optoelectronic Properties and Photovoltaic Performance of Rb2CuAsZ6 (Z = Br and Cl) Double Perovskites Using DFT and SCAPS-1D Modelling." Solar Energy and Sustainable Development 14.2 (2025), 91-104. Print.


doi:10.51646/jsesd.v14iSTR2E.802

APA (American Psychological Association) Style

Assiouan, K., Ziani, . H., Khamkhami, . J. E. & Achahbar, . A. (2025) Comprehensive Analysis of Optoelectronic Properties and Photovoltaic Performance of Rb2CuAsZ6 (Z = Br and Cl) Double Perovskites Using DFT and SCAPS-1D Modelling. Solar Energy and Sustainable Development, 14 (2), 91-104.


doi:10.51646/jsesd.v14iSTR2E.802

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