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Author

Muhammad Kaleem

Observed name: Kaleem, Muhammad
ORCID: 0009-0004-4599-5651
Observed ORCID: 0009-0004-4599-5651
OpenAlex ID: A5138698778
An approach towards next-generation hydrogen storage: a DFT study on A 2 LiTiH 6 (A = K, Ca) perovskite hydrides
2025 · Muhammad Abaid Ullah, Muhammad Kaleem, et al. · RSC Advances · 50
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Stability and hydrogen storage performance of Na 2 LiXH 6 (X = Zr, V, Cr) double perovskite hydrides via DFT and AIMD
2026 · Muhammad Kaleem, Malik Muhammad Asif Iqbal, et al. · RSC Advances · 29
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Quantum chemical investigation of A2LiBiI6 perovskites with Na, K, and Rb for photocatalytic water-splitting application
2026 · Malik Muhammad Asif Iqbal, Muhammad Abaid Ullah, et al. · npj Clean Energy · 20
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DFT and AIMD insights into the photo-excited stability of Na2ReXO6 (X=Al, In) perovskites for efficient energy harvesting
2026 · Sanober Kanwal, Ahsan Illahi, et al. · Physica B Condensed Matter · 11
Optoelectronic and photovoltaic assessment of Na 2 ReAlO 6 double perovskite: insights from DFT and SCAPS modeling
2026 · Sanober Kanwal, Ahsan Illahi, et al. · RSC Advances · 10
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Stability and hydrogen storage potential of zirconium-based A 2 ZrH 6 (A = Na, K) hydrides: a DFT and AIMD investigation
2026 · Muhammad Kaleem, Amna Nasir, et al. · RSC Advances · 7
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Computational exploration of hydrogen storage potential in Mg 2 LiXH 6 (X = Ti, V) hydrides via DFT and AIMD simulations
2026 · Malik Muhammad Asif Iqbal, Muhammad Kaleem, et al. · RSC Advances · 5
DFT insights into optoelectronic response and SCAPS-1D investigation of photovoltaic properties of Rb2AuSbCl6 double perovskite solar cells with optimized hole transport layers
2026 · Ahmad Ayyaz, Saba Ashraf, et al. · Journal of Molecular Graphics and Modelling · 3
Multiscale investigation of X2ReGaO6 (X = Na, K) oxide double perovskites: phonon stability, AIMD, and device performance
2026 · Asif Nawaz Khan, Asif Nawaz Khan, et al. · Chemical Physics · 3
First-principles exploration of Na2LiXH6 (X = Y, Mn) hydrides: Toward next-generation hydrogen storage materials
2026 · Muhammad Tanzeel, Amna Nasir, et al. · International Journal of Hydrogen Energy · 1
Design and optimization of highly efficient and lead-free Cs2TeI6-based double perovskite solar cells: Insights from DFT and SCAPS-1D
2026 · Saad Ullah, Muhammad Kaleem, et al. · Solar Energy Materials and Solar Cells · 1
DFT and SCAPS-1D investigation of Ae 2 LiSbI 6 (Ae = Rb, Cs) perovskites for solar energy applications
2026 · Muhammad Kaleem, Malik Muhammad Asif Iqbal, et al. · Physical Chemistry Chemical Physics · 1
K 2 LiXH 6 (X = Zr, Mn) double perovskite hydrides for hydrogen storage: a DFT and AIMD investigation
2026 · Malik Muhammad Asif Iqbal, Muhammad Kaleem, et al. · Physical Chemistry Chemical Physics · 1
AIMD-driven insights into the thermodynamic stability and thermoelectric performance of Li 2 YCuX 6 (X = Cl, Br, I) double perovskites
2026 · Malik Muhammad Asif Iqbal, Muhammad Kaleem, et al. · RSC Advances · 1
Exploring the effect of cerium doping on the physical properties of Bi2Ca2-xCexCoO6 double perovskite oxides: Experimental and theoretical insights
2025 · Sanober Kanwal, Ahsan Illahi, et al. · Solid State Sciences · 1
Unveiling the Photovoltaic Potential of Lead-Free Bi2Ca2CoO6 Perovskite Oxide Solar Cells
2025 · Sanober Kanwal, Ahsan Illahi, et al. · Journal of Science Advanced Materials and Devices · 1
Author response for "DFT and AIMD insights into the stability and hydrogen storage performance of Na2XH6 (X = Cr, Mn, and Fe) perovskite hydrides"
2026 · Kaleem, Muhammad, Kanwal, Sanober, et al.
Parametric optimization of CsPbI2Br/CsPbBr3 heterojunction device structures for enhanced performance
2026 · Saad Ullah, Muhammad Kaleem, et al. · Journal of Physics and Chemistry of Solids
DFT and SCAPS-1D assisted investigation of optoelectronic, thermoelectric, and optimized photovoltaic performance of halide double perovskite K2LiInI6
2026 · Hafiz Irfan Ali, Basma A. El-Badry, et al. · Journal of Molecular Graphics and Modelling
Author response for "DFT and SCAPS-1D Investigation of Ae2LiSbI6 (Ae = Rb, Cs) Perovskites for Solar Energy Applications"
2026 · Muhammad Kaleem, Malik Muhammad Asif Iqbal, et al.
Author response for "DFT and SCAPS-1D Investigation of Ae2LiSbI6 (Ae = Rb, Cs) Perovskites for Solar Energy Applications"
2026 · Muhammad Kaleem, Malik Muhammad Asif Iqbal, et al.
Author response for "Computational Exploration of Hydrogen Storage Potential in Mg2LiXH6 (X = Ti, V) Hydrides via DFT and AIMD Simulations"
2026 · Malik Muhammad Asif Iqbal, Muhammad Kaleem, et al.
Author response for "Stability and hydrogen storage potential of zirconium-based A2ZrH6 (A = Na, K) hydrides: a DFT and AIMD investigation"
2026 · Muhammad Kaleem, Amna Nasir, et al.
Author response for "Optoelectronic and Photovoltaic Assessment of Na2ReAlO6 Double Perovskite: Insights from DFT and SCAPS Modeling"
2026 · Sanober Kanwal, Ahsan Illahi, et al.
DFT and AIMD insights into the stability and hydrogen storage performance of Na 2 XH 6 (X = Cr, Mn, and Fe) perovskite hydrides
2026 · Muhammad Kaleem, Sanober Kanwal, et al. · RSC Advances
Works count: 27
Citation count: 155
H-index: 7
I10-index: 6
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