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RESEARCH PAPER · Materials Today Sustainability · 2023

Enhanced stability and optoelectronic properties of double perovskite Cs2AgSbI6 by Br doping for solar cells

F. Elfatouaki, R. Takassa, O. Farkad, S. Hassine, O. Choukri, Abdelkarim El Mouncharih, E.A. Ibnouelghazi, Abdelkader Outzourhit, D. Abouelaoualim

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Enhanced stability and optoelectronic properties of double perovskite Cs2AgSbI6 by Br doping for solar cellsOriginalNon‐Toxic and Stable Double Perovskite Solar Cells Based on Cs2AgSbX6 Light Harvester: First Principle Calculations‐Aided Theoretical Estimation7A study of the structural, electronic, optical, and thermoelectric properties of the stable double perovskite Ba2KIO6 using density functional theory41Enhancing Solar Cell Efficiency: A Comparative Study of Lead-Free Double Halide Perovskites $Rb_{2}CuAsBr_{6}$ and $Rb_{2}TlAsBr_{6}$ using DFT and SLME Methods33First-principle study of strontium intercalation in bilayer graphene0Enhancing Perovskite Solar Cells Performance Through Investigation of Ruddlesden–Popper (2D) Cs2GeI2Br2 and (3D) CsGeI2Br Absorbers8High-performance optimization and analysis of Cs₂CuSbCl₆-Based lead-free double perovskite solar cells with theoretical efficiency exceeding 27 %40Investigating the multifaceted properties of K and Rb-based halide double perovskites via density functional theory7Exploring double perovskites Cs 2 AgSbX 6 (X = Cl, Br, and I) as promising optoelectronic and thermoelectric materials: a first-principles study20Computational investigation of newly proposed double halide perovskites Cs2GaBiX6 (X = Cl, Br and I) with enhanced optoelectronic properties for green energy harvesting and photocatalytic applications12First principles investigation of electronic, magnetic, optical, and mechanical properties halide double perovskites Cs2CuMoX6 (X = Cl, Br) for sustainable energy applications19Optimization of power conversion efficiency of FTO/WS2/Cs2SnI6/V2O5/Au Pb-free solar cell with all-inorganic transport layers9Structural, mechanical, electronic, optical, and thermoelectric properties of Sr2XUO6 (X = Cr, Dy): A first principles investigation for photovoltaic applications13First-Principles Investigation of Narrow Bandgap Halide Double Perovskites A2AgSbI6 (A = K, Rb)13Multifunctional double perovskites Cs2BI6 (B = Ti, Ge, Se, Sn, and Te) for solar energy harvesting: photovoltaic, photocatalytic, and thermoelectric pathways18Exploration of lead-free Rb2InGeX6 double perovskites: correlating halide substitution with electronic, optical, and thermoelectric performance3Theoretical exploration of multi-functional K2RbInX6 (X = Cl, Br) halide perovskites for optoelectronic and thermoelectric applications3Computational Modelling of Lead Free FASnI 2 Br with Copper‐Doped Strontium Titanate and Conductive Metal‐Organic Frameworks as Charge Transport Layers0Exploring Lead‐Free Rb 2 PtI 6 ‐Based Perovskite Solar Cells Through SCAPS‐1D and Charge Transport Layer Variations for Enhanced Photovoltaic Efficiency1Extensive DFT analysis of Rb2XTlCl6 (X = Al, K) double perovskites: Exploring potential for thermoelectric and optoelectronic applications4First-principles study of structural, AIMD, population analysis, electronic, optical, and photocatalytic properties of X2LaTlO6 (X = Hf, Ti) double perovskites0First-principles investigation of silicon-substituted hybrid halide perovskites for lead-free optoelectronic applications0Enhanced Photovoltaic Performance of Cs2AgBiBr6 Solar Cells Through Mg/Cu co-Doped TiO2 and Ge-Substituted Cu2ZnSnS4 Transport Layers0

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  1. Non‐Toxic and Stable Double Perovskite Solar Cells Based on Cs2AgSbX6 Light Harvester: First Principle Calculations‐Aided Theoretical Estimation

    Advanced Theory and Simulations · 2023-10-25

    Mohamed Alla, Om Mishra, Girish R. Wakale, Ekta Choudhary, Vishesh Manjunath, Mohammad K. Hossain, Mustapha Rouchdi, Boubker Fares

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  2. A study of the structural, electronic, optical, and thermoelectric properties of the stable double perovskite Ba2KIO6 using density functional theory

    Optical and Quantum Electronics · 2024-06-02

    Muhammad Shafiullah, Sana Ullah, Malak Azmat Ali, Munirah D. Albaqami, Saikh Mohammad, Muhammad Faizan

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  3. Enhancing Solar Cell Efficiency: A Comparative Study of Lead-Free Double Halide Perovskites $$Rb_{2}CuAsBr_{6}$$ and $$Rb_{2}TlAsBr_{6}$$ using DFT and SLME Methods

    Journal of Inorganic and Organometallic Polymers and Materials · 2024-08-22

    Hmad Fatihi, Mohamed Agouri, Hakima Ouhenou, Hamza Benaali, Abderrahmane Zaghrane, Abderrahman Abbassi, Moha El Idrissi, S. Taj, B. Manaut

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  4. First-principle study of strontium intercalation in bilayer graphene

    Pramana · 2024-08-23

    O. Farkad, R. Takassa, F. Elfatouaki, Sanae Hassine, Abdelkarim El Mouncharih, O. Choukri, A. Ouahdani, E.A. Ibnouelghazi, D. Abouelaoualim

    Read original paper ↗ ·

  5. Enhancing Perovskite Solar Cells Performance Through Investigation of Ruddlesden–Popper (2D) Cs2GeI2Br2 and (3D) CsGeI2Br Absorbers

    The Journal of Physical Chemistry C · 2024-11-19

    F. Elfatouaki, R. Takassa, Mohamed Alla, O. Farkad, Abdelkarim El Mouncharih, S. Hassine, Simone Giusepponi, E.A. Ibnouelghazi, Abdelkader Outzourhit, D. Abouelaoualim

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  6. High-performance optimization and analysis of Cs₂CuSbCl₆-Based lead-free double perovskite solar cells with theoretical efficiency exceeding 27 %

    Renewable Energy · 2024-12-05

    Hicham El-assib, Mohamed Alla, Mohamed Alla, Safae Tourougui, Malika Alla, Malika Alla, F. Elfatouaki, Shazia Akhtar Dar, Asha Chauhan, Naima, N. Chawki, Nikhil Shrivastav, Vishesh Manjunath, Mustapha Rouchdi, Boubker Fares

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  7. Investigating the multifaceted properties of K and Rb-based halide double perovskites via density functional theory

    Solid State Communications · 2024-12-19

    Kailash Rangar, Kamal Nayan Sharma, Kishore Kumar, Amit Soni, Jagrati Sahariya

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  8. Exploring double perovskites Cs 2 AgSbX 6 (X = Cl, Br, and I) as promising optoelectronic and thermoelectric materials: a first-principles study

    Physical Chemistry Chemical Physics · 2025-01-01

    Asim Sajjad, Muhammad Faizan, Tahani A. Alrebdi, Ghulam Murtaza, Javed Rehman, Xingchen Shen, Yujing Dong, Kausar Shaheen, Shah Haidar Khan

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  9. Computational investigation of newly proposed double halide perovskites Cs2GaBiX6 (X = Cl, Br and I) with enhanced optoelectronic properties for green energy harvesting and photocatalytic applications

    Journal of Physics and Chemistry of Solids · 2025-02-20

    M. Shakil‎, Farah Naz, Saman Yasin, Arslan Ali, Mohd. Muddassir, S.S.A. Gillani, Iftikhar Hussain, Nargis Bano

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  10. First principles investigation of electronic, magnetic, optical, and mechanical properties halide double perovskites Cs2CuMoX6 (X = Cl, Br) for sustainable energy applications

    Materials Science and Engineering B · 2025-02-21

    Nimra Azeem, Muhammad Waqas Iqbal, Abhinav Kumar, Subhash Chandra, Ahmad Ayyaz, Ibad Ur Rehman, Vijayalaxmi K. Mishra, Narmin Arif Ismayilova, Hussein Alrobei

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  11. Optimization of power conversion efficiency of FTO/WS2/Cs2SnI6/V2O5/Au Pb-free solar cell with all-inorganic transport layers

    Inorganic Chemistry Communications · 2025-03-04

    Hind Mohammed Albalawi, Ghulam M. Mustafa, Waqar Azeem, Saira Liaqat, Bisma Younas

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  12. Structural, mechanical, electronic, optical, and thermoelectric properties of Sr2XUO6 (X = Cr, Dy): A first principles investigation for photovoltaic applications

    Journal of Physics and Chemistry of Solids · 2025-04-14

    Muhammad Naeem Tabassam, Amir Shahzad, Amjad A. Almunyif, Shabir Ali, S.S. Murtaza, Nasarullah, Muhammad Shahid

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  13. First-Principles Investigation of Narrow Bandgap Halide Double Perovskites A2AgSbI6 (A = K, Rb)

    Journal of Inorganic and Organometallic Polymers and Materials · 2025-05-08

    Nabeel Israr, Wasif ur Rehman, Muhammad Awais Jehangir, Nashaat S. Abd El-Gawaad, Umar Farooq

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  14. Multifunctional double perovskites Cs2BI6 (B = Ti, Ge, Se, Sn, and Te) for solar energy harvesting: photovoltaic, photocatalytic, and thermoelectric pathways

    Energy · 2025-08-06

    Mihade El Akkel, Hamid Ez-zahraouy A

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  15. Exploration of lead-free Rb2InGeX6 double perovskites: correlating halide substitution with electronic, optical, and thermoelectric performance

    Physica Scripta · 2025-09-01

    Diyar A. Sadiq, Nawzad A. Abdulkareem, Hameed T. Abdulla, Mohammed Noor S. Rammoo

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  16. Theoretical exploration of multi-functional K2RbInX6 (X = Cl, Br) halide perovskites for optoelectronic and thermoelectric applications

    Computational Condensed Matter · 2025-09-10

    Fozia Aslam, Ammad Ul Islam, Salamat Ullah Khan Niazi, Afaf Khadr Alqorashi, Gamil A.A. Al‐Hazmi, Mahvish Shaheen, Sanam Saleem, Syed Muhammad Kazim Abbas Naqvi

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  17. Computational Modelling of Lead Free FASnI 2 Br with Copper‐Doped Strontium Titanate and Conductive Metal‐Organic Frameworks as Charge Transport Layers

    physica status solidi (a) · 2025-09-18

    Abdul Haseeb Hassan Khan

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  18. Exploring Lead‐Free Rb 2 PtI 6 ‐Based Perovskite Solar Cells Through SCAPS‐1D and Charge Transport Layer Variations for Enhanced Photovoltaic Efficiency

    International Journal of Energy Research · 2026-01-01

    Farhana Bari Sumona, Nahid Al Mahmud, Tao Zhang, Taufiqul Bari Tuhin, Wajid Khan, Mustafa Abdullah, Mebratu Sintie Geremew

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  19. Extensive DFT analysis of Rb2XTlCl6 (X = Al, K) double perovskites: Exploring potential for thermoelectric and optoelectronic applications

    Computational Condensed Matter · 2026-01-19

    Tahani A. Alrebdi, Amantay Dalbanbay, Soliman, Tamer H. A. Hasanin, Muhammad Zeeshan, Ahmed M. Shawky, Abdullah Almohammedi, Muhammad Faizan

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  20. First-principles study of structural, AIMD, population analysis, electronic, optical, and photocatalytic properties of X2LaTlO6 (X = Hf, Ti) double perovskites

    Optical and Quantum Electronics · 2026-04-28

    Sahar Abdalla, Iftikhar Ahmed, Amina Gilani, Mansour H. Almatarneh, Calvyn Travis Howells, Muhammad Asim Kamran

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  21. First-principles investigation of silicon-substituted hybrid halide perovskites for lead-free optoelectronic applications

    Revista Mexicana de Física · 2026-07-01

    Imad Salym, R. Takassa, O. Farkad, F. Elfatouaki, Abdelkarim El Mouncharih, Mohamed Elaatmani, D. Abouelaoualim, Abdelaziz Elboujlaidi

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  22. Enhanced Photovoltaic Performance of Cs2AgBiBr6 Solar Cells Through Mg/Cu co-Doped TiO2 and Ge-Substituted Cu2ZnSnS4 Transport Layers

    Journal of Inorganic and Organometallic Polymers and Materials · 2026-08-22

    Najoua Fangachi, Saida Taoussi, Ahmed Ouaha, Ilyas Chabri, A. El Bouari, L. Bih

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