Achieving efficiency above 30% with new inorganic cubic perovskites X2SnBr6 (X = Cs, Rb, K, Na) via DFT and SCAPS-1D

Md. Ferdous Rahman, Tanvir Al Galib, Md. Azizur Rahman, Md. Hafizur Rahman, Md. Harun-Or-Rashid, Md. Al Ijajul Islam, Md. Monirul Islam, N. Dhahri and Ahmad Irfan

Phys. Chem. Chem. Phys., 2025, 27, 1155
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Optimizing Cs2CuBiBr6 double halide perovskite for solar applications: the role of electron transport layers in SCAPS-1D simulations

Khandoker Isfaque Ferdous Utsho, S. M. G. Mostafa, Md. Tarekuzzaman, Muneera S. M. Al-Saleem, Nazmul Islam Nahid, Jehan Y. Al-Humaidi, Md. Rasheduzzaman, Mohammed M. Rahman and Md. Zahid Hasan

RSC Adv., 2025, 15, 2184
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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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Simulation and machine learning driven optimization of Rb2SnBr6-based lead-free perovskite solar cells using diverse ETLs for enhanced photovoltaic performance

Md. Selim Reza, Avijit Ghosh, Asadul Islam Shimul, Saeed Hasan Nabil, Manjuara Akter, Aijaz Rasool Chaudhry, Dipongkar Ray Sobuj, Yedluri Anil Kumar, Shaikat Biswas, Khorshed Alam and Maida Maqsood

Mater. Adv., 2025, 6, 9602
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Investigation of novel all-inorganic perovskites Ba3PX3 (X = F, Cl, Br, I) with efficiency above 29%

Md. Al Ijajul Islam, Md. Ferdous Rahman, Md. Monirul Islam, Mustafa K. A. Mohammed and Ahmad Irfan

Phys. Chem. Chem. Phys., 2025, 27, 1861
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Tuning the electronic dimensionality and bandgap in Cs2AgBiX6 (X = Br, Cl) for photovoltaic applications: a DFT-1/2 study of cation disorder

Vinut R. Vadagavi, R. Imran Jafri, Krishnakumar S. R. Menon and Suman Mandal

Phys. Chem. Chem. Phys., 2024, 26, 29595
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An eco-friendly K2NaInBr6 double halide perovskite as a next-generation absorber for perovskite solar cells: a DFT and SCAPS-1D study

Nazmul Shahadath, Ashraful Mujahid, Raihan Kabir, Md. Tarekuzzaman, Mohammad Yasin Hayat Khan, Md. Abu Bakkar Siddique, Sohail Ahmad, Md. Rasheduzzaman and Md. Zahid Hasan

Mater. Adv., 2026, 7, 2595
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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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Optimization of power conversion efficiency of FTO/WS2/Cs2SnI6/V2O5/Au Pb-free solar cell with all-inorganic transport layers

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

Inorganic Chemistry Communications, 2025, 176, 114245
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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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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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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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Integrated simulation of Li2AgBiBr6 solar harvesters: Device-level engineering and module-level forecasting

Ashraful Mujahid, Md. Hasan Mia, Omar Alsalmi and Md. Zahid Hasan

Journal of Power Sources, 2026, 671, 239573
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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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Exploring the photovoltaic potential of Cs2AgBX6 (B Bi, Sb; X=Br, Cl) double perovskites: A computational study

Yali Tuo, Ziyi Zhang, Shuangna Guo, Yaxin Xu, Zhengjun Wang, Zhao Han, Xiongfei Yun, Shaohang Shi, Jiangzhou Xie, Songya Wang, Chao Dong, Xiaoning Guan, Changcheng Chen, Gang Liu and Pengfei Lu

Materials Chemistry and Physics, 2025, 343, 131014
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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
DOI: 10.1007/s11082-025-08502-8

Harnessing the half-metallicity and thermoelectric insights in Cs2AgMBr6 (M = V, Mn, Ni) double halide perovskites: A DFT study

Mudasir Younis Sofi, Mohd. Shahid Khan and M. Ajmal Khan

Materials Science in Semiconductor Processing, 2025, 186, 109023
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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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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

Inorganic Chemistry Communications, 2025, 178, 114636
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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
DOI: 10.1002/aelm.202500312

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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High-efficiency and eco-friendly Cs2SnBr6-based perovskite solar cells: optimized device architecture and performance analysis via SCAPS-1D simulation

Md. Selim Reza, Avijit Ghosh, Yedluri Anil Kumar, Md Al Imran, Khorshed Alam, Md Mahfuzur Rahman, Nasser S. Awwad and Hala A. Ibrahium

Opt. Express, 2025, 33, 30441
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An overview of the numerical modeling, simulation, and optimization methods: toward the design of highly efficient planer perovskite solar cells

Mehdi Aliaghayee

Discov Electron, 2024, 1
DOI: 10.1007/s44291-024-00026-x