Article
| Sl. | Author/s | Title | Publisher | Type | Publication Date | Action |
|---|---|---|---|---|---|---|
| 1 | RM Tanvir, Md Al-Amin, S Sheikh, A Rayhan, S Mahmud, Dr. SHUAIB MAHMUD | Integrated DFT and SCAPS-1D analysis of Tl2AgAsX6 (X= Cl, I) double perovskites for advanced energy-harvesting devices | Next Materials (Elsevier) | Article | 17 April 2026 |
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| 2 | Shuaib Mahmud, Md. Mainol Islam, Md. Mukter Hossain, Md. Mohi Uddin, Md. Ashraf Ali, Dr. SHUAIB MAHMUD | Performance Engineering of Cs2AuScI6 Double Halide Perovskite Solar Cell: A DFT and SCAPS‐1D Approach to 31.82% Efficiency | Advanced Theory and Simulations (Wiley) | Article | 18 Nov 2025 |
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| 3 | Md Mehedi Hasan, Abdul Khaleque, MA Rayhan, M Islam, S Mahmud, Ashraful Hossain Howlader, Dr. SHUAIB MAHMUD | Highly efficient double halide perovskite for solar cell devices with DFT and SCAPS 1D analysis | Next Materials (Elsevier) | Article | 19 Sep 2025 |
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| 4 | RM Tanvir, S Tanvir, Md Al-Amin, A Rayhan, S Mahmud, Dr. SHUAIB MAHMUD | Computational Analysis of Hydrogen Storage and Physical Behavior of Al, Ga, and In-Based Copper Hydrides | Computational Condensed Matter (Elsevier) | Article | 17 Nov 2025 |
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| 5 | Dr. SHUAIB MAHMUD , Md Al-Amin, A Haque, S Mahmud, MM Hossain, MM Uddin, MA Ali | Numerical optimization of Rb2AuScBr6 and Rb2AuScCl6-based lead-free perovskite solar cells: device engineering and performance mapping | RSC Advances (RSC) | Article | 13 Nov 2025 |
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| 6 | Dr. SHUAIB MAHMUD , Shuaib Mahmud, Usama Ahmed, Md Atik Uz Zaman Atik, Md Mukter Hossain, Md Mohi Uddin, Md Ashraf Ali | Novel Cs2AuIMIIIF6 (M= As, Sb) double halide perovskites: sunlight and industrial waste heat management device applications | Physical Chemistry Chemical Physics (RSC) | Article | 21 January 2025 |
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| 7 | Dr. SHUAIB MAHMUD , S Mahmud, MM Hossain, MM Uddin, MA Ali | Prediction of X2AuYZ6 (X= Cs, Rb; Z= Cl, Br, I) double halide perovskites for photovoltaic and wasted heat management device applications | Journal of Physics and Chemistry of Solid (Elsevier)s | Article | 01 September 2024 |
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| 8 | Dr. SHUAIB MAHMUD , MA Ali, S Nath, S Mahmud, N Jahan, MM Uddin | MAX phase borides, the potential alternative of well-known MAX phase carbides: A case study of V2AB [A= Ge, P, Tl, Zn] via DFT method | Diamond and Related Materials (Elsevier) | Article | 21 October 2024 |
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| 9 | Md Shahazan Parves, S Mahmud, Md Tarekuzzaman, MA Rayhan, Md Rasheduzzaman, Md Zahid Hasan, Dr. SHUAIB MAHMUD | Structural and optoelectronic study of MgLiX3 (X= Cl, Br, and I) halide perovskites: A DFT approach | AIP Advances (AIP) | Article | 25 October 2024 |
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| 10 | S Mahmud, MAUZ Atik, MN Mostakim, Md Tarekuzzaman, Md Zahid Hasan, Dr. SHUAIB MAHMUD | Investigation of direct small bandgap Cs2AuInX6 (X= F/Cl) double perovskites for energy harvesting technology employing DFT | Computational Condensed Matter (Elsevier) | Article | 06 August 2024 |
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