Multiscale analysis of Rb2NaInI6: from electronic structure to device performance for next-generation perovskite solar cells

Akram Hossan Mahedi, Salah Uddin, Mohammad Yasin Hayat Khan, Md. Tarekuzzaman, O. Alsalmi, Md. Rasheduzzaman, S. M. G. Mostafa, M. Moazzam Hossen and Md. Zahid Hasan

RSC Adv., 2025, 15, 29836
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Advances in lead-free perovskite solar cell design via SCAPS-1D simulations

Vívian Helene Diniz Araújo, Ana Flávia Nogueira, Juliana Cristina Tristão and Leandro José dos Santos

RSC Sustainability, 2025, 3, 4314
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Examining the contribution of charge transport layers to boost the performance over 26% in Sr3PCl3 absorber-based bifacial perovskite solar cells

Asadul Islam Shimul, Avijit Ghosh, Swarna Rani Sarker and Huriyyah A. Alturaifi

RSC Adv., 2025, 15, 7663
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Design and optimization of highly efficient and lead-free Cs2TeI6-based double perovskite solar cells: Insights from DFT and SCAPS-1D

Saad Ullah, Muhammad Kaleem, Firoz Khan, Amna Nasir and Masoud Al-Rasheidi

Solar Energy Materials and Solar Cells, 2026, 301, 114334
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Simulation, optimization, and machine learning strategies for CH₃NH₃PbBr₃ perovskite solar cells

Safikur Rahman Fahim, Md. Shamim Sarker, Mahzabin Islam Piya, Jubaer Ahamed Bhuiyan, Hayati Mamur and Mohammad Ruhul Amin Bhuiyan

Next Energy, 2026, 10, 100491
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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 and Abdelfattah Achahbar

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ANN-integrated modeling of HTL-free Cs₂SnI₆ perovskite solar cells under indoor and outdoor light spectra

Md Zannatul Arif, Guobing Zhou and Md. Munirul Hasan

Journal of Alloys and Compounds, 2025, 1036, 181801
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Advancing Solar Energy with Cs2TlAsI6 Double Halide Perovskite: A Simulation‐Driven Approach for High‐Efficiency Solar Cell

Md. Tarekuzzaman and Khandoker Isfaque Ferdous Utsho

Adv Elect Materials, 2025, 11
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Halogen-induced electronic and structural modulation in Cs₂NaTlBr₃Cl₃ double perovskites for high-efficiency solar energy harvesting

Okba Saidani, Abderrahim Yousfi, Mahmood M.S. Abdullah, Hamad A. Al-Lohedan, Abdelhalim Brahimi, Djamel Eddine Boudechiche, Sarra Bendib and Rania Saoudi

Nano-Structures & Nano-Objects, 2026, 46, 101634
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Exploring Optoelectronic Behavior and Solar Cell Efficiency of Double Halide Perovskites M2KIrCl6 (M = Cs, Rb) through DFT and SCAPS-1D

Md. Abu Bakkar Siddique, Md. Shahazan Parves, Md. Tarekuzzaman, Md. Raihan Kabir, Muneera S. M. Al-Saleem, Jehan Y. Al-Humaidi, Md. Rasheduzzaman, M. Moazzam Hossen, Mohammed M. Rahman and Md. Zahid Hasan

Langmuir, 2025, 41, 19797
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Eco-friendly Cs2CuBiBr6 solar cells surpass 30% efficiency via Al–TiO2 interface engineering

Umar Farooq Ali, Qasim Ali, Usama Sohail, Muhammad Faisal and Sabah Haider

Opt Quant Electron, 2026, 58
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Performance enhancement of Cs2CuBiBr6-based double halide perovskite solar cells via engineered inorganic charge transport layers

S.m. Jawwad Nazari, Mehrin Islam, Arunangshu Saha and Safayat-Al Imam

Next Materials, 2026, 11, 101834
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Optimization of Lead‐Free Perovskite Solar Cell Architecture Using Machine Learning and Numerical Simulations

Md. Arifur Rahman and Mohammad Jahangir Alam

Advcd Theory and Sims, 2026, 9
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Highly efficient double halide perovskite for solar cell devices with DFT and SCAPS 1D analysis

Md. Mehedi Hasan, Abdul Khaleque, M.A. Rayhan, M. Islam, S. Mahmud and Ashraful Hossain Howlader

Next Materials, 2026, 10, 101484
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Device engineering and performance analysis of Cs2AgSbBr6 perovskite solar cells using SCAPS-1D

S.M.G Mostafa, Khandoker Isfaque Ferdous Utsho, Md. Sajjadur Rahman, Md. Tarekuzzaman, O. Alsalmi, Md. Rasheduzzaman and Md. Zahid Hasan

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Halide Double Perovskites: Insights into Structure, Defects, and Luminescence

Bhawna, Aftab Alam and M. Aslam

ACS Appl. Mater. Interfaces, 2026, 18, 10681
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Theoretical investigation of structural, electronic, and optical features of lead-free Rb2LiAsX6 (X = F, Cl, Br, I) double perovskites

R Beddiaf, K Bouzgou, H Bouderba, H Righi, M Dhiaf, A Hidoussi and Y Djaballah

Phys. Scr., 2026, 101, 115910
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Machine learning–guided SCAPS-1D design of lead-free CH₃NH₃SnI₃ perovskite solar cells with 40.17% simulated PCE

Md. Arifur Rahman and Mohammad Jahangir Alam

J Mater. Sci: Mater Eng., 2026
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Eco-friendly fluoroperovskites Cs2InSbF6 and Cs2CuBiF6 for advanced optical and optoelectronic technologies

Djelti Radouan, Benahmedi Lakhdar, Besbes Anissa, Aissani Ali and Bendehiba Sid Ahmed

Solid State Sciences, 2025, 169, 108103
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Precision Design of Lead-Free Sr3SbCl3 Perovskite Solar Cells: Role of Electron Transport Layers and Interface Optimization

Ubaid Ur Rehman, Kashaf Ul Sahar and Chun-Ming Wang

Precision Chemistry, 2026, 4, 282
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Advanced Numerical Insights into Bandgap-Tuned Cs₂Ti(Cl₁₋ₓBrₓ)6 for High-Efficiency Solar Applications

Vipul Pamwani, Syamantak Gupta, Nikita, Jaspinder Kaur, Rikmantra Basu, Ajay Kumar Sharma, Jaya Madan and Rahul Pandey

Materials Science and Engineering: B, 2026, 324, 118897
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Investigation of optoelectronic and photovoltaic characteristics of A2NaAlI6 (A = Rb, Cs)-based perovskite solar cells with different charge transport layers: DFT and SCAPS-1D simulation

Ahmad Ayyaz, Muhammad Kaleem, Amna Nasir, Noura Dawas Alkhaldi, Murefah mana Al-Anazy, Imed Boukhris, Q. Mahmood and Muhammad Zulqarnain Abbasi

Solar Energy, 2025, 299, 113738
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Optimized solar conversion achieved with double halide X2NaIrCl6 (X = Rb, Cs) perovskites for optoelectronic and photovoltaic applications

Md. Shahazan Parves, Md. Abu Bakkar Siddique, Md. Tarekuzzaman, Nazmul Shahadath, Sohail Ahmad, Md. Rasheduzzaman, M. Moazzam Hossen, Yasir Arafat and Md. Zahid Hasan

Energy Nexus, 2025, 20, 100549
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High-Efficiency Lead-Free Tandem Solar Cells Based on CaV0.5Fe0.5O3 and Ag2BeSnX4

F. E. Elkezaini, L. B. Drissi and Y. Chrafih

J. Electron. Mater., 2026
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First-principles investigation and SCAPS-based optimization of Cs2Sb2Br8 Dion–Jacobson perovskites for solar cell applications

Muhammad Usman, Atta Ullah, Adnan Sadiq, Haris Haider, Ibrar Ahmad, Khizar Hayat and Said Karim Shah

Opt Quant Electron, 2025, 57
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Numerical modelling of lead-free AgZnF3 perovskite solar cells with over 31% efficiency: a SCAPS-1D investigation

Nishant Hooda, Rahul Kundara, Salil Chaudhary and Sarita Baghel

Phys. Scr., 2025, 100, 105961
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Integrated machine learning and impedance spectroscopy analysis of bifacial lead-free Rb2LiTlBr6 double perovskite solar cells using numerical simulation

Bipul Chandra Biswas, A.T.M. Saiful Islam, Asadul Islam Shimul, Sk Minhajul Abedin, Amnah Mohammed Alsuhaibani, Moamen S. Refat, Mohamed Benghanem, Md. Azizur Rahman and Noureddine Elboughdiri

Polyhedron, 2026, 293, 118136
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Numerical investigation and performance improvement of a lead-free WS2/CH3NH3SnI3/spiro-OMeTAD solar cell using SCAPS-1D

T Keerthi Priya and Prasenjit Deb

Phys. Scr., 2026, 101, 065908
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Performance Engineering of Cs2AuScI6 Double Halide Perovskite Solar Cell: A DFT and SCAPS‐1D Approach to 31.82% Efficiency

Shuaib Mahmud, Md. Mainol Islam, Md. Mukter Hossain, Md. Mohi Uddin and Md. Ashraf Ali

Advcd Theory and Sims, 2026, 9
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Enhanced optoelectronic and photovoltaic properties of eco-friendly Cs2AgRhX6 (X = Cl, Br) absorbers for next-generation solar cells

Md. Mehedi Hasan and Abdul Khaleque

Physica B: Condensed Matter, 2026, 723, 418149
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Interface-engineered built-in electric fields in g-C3N4/Cs2CuBr4 non-classical Type-I heterostructures for selective CO2-to-CO conversion

Lizhuang Dong, Mohammad Mehdi Rashidi, Sonu Kumar, Hassan Rokni, Marek Piotrowski, Chengjie Wang, Arup Neogi, Zhiming Wang and Udayabhaskararao Thumu

Chemical Engineering Journal, 2026, 531, 173817
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Interface-engineered Sn-based perovskite solar cells using cost-effective dual functional TiO2 based transport layers for enhanced efficiency

Nadia Anwar, Usman Habib, Ahmad Ali, Ameer Humza Awan, Shahrukh Khan and Muhammad Talha Masood

Phys. Scr., 2026, 101, 025916
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A Computational Study of the Structural, Optoelectronic, and Thermoelectric Properties of Rb2BiAuX6 (X = Cl, Br) Halide Double Perovskites

Amantay Dalbanbay, Amtul Basit, Muhammad Zeeshan, Fadhil Faez Sead, Mohamed S. Soliman, Munir Ahmad, Tamer H. A. Hasanin, Sanu Xavier, Faiz Mahmood and Rasheed Ahmad Khera

Energy Tech, 2025, 13
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Comprehensive Analysis for Low-Cost and Highly Efficient Perovskite Solar Cells Using SCAPS-1D with an Inexpensive Hole Transport Material, Electron Transport Material, and Back Contact Considering the Toxicity

Rukon Uddin, Sayem Ul Alam and Subrata Bhowmik

ACS Omega, 2025, 10, 38480
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Unraveling the photovoltaic behavior of Cs2NaBiI6 double perovskite: a combined DFT, SCAPS-1D, wxAMPS, COMSOL and machine learning approach

Ghazi Aman Nowsherwan

Opt Quant Electron, 2025, 58
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