Exploring structural, thermodynamic, elastic, electro-optic, and thermoelectric characteristics of double perovskites Rb2XInBr6 (X= Na, K) for photovoltaic applications: A DFT … A Ayyaz, G Murtaza, M Shafiq, MQ Shah, N Sfina, S Ali Solar Energy 265, 112131, 2023 | 40 | 2023 |
Structural, elastic, optoelectronic, and transport properties of Na-based halide double perovskites Na2CuMX6 (M = Sb, Bi, and X = Cl, Br) as renewable … A Ayyaz, G Murtaza, M Umer, A Usman, HH Raza Journal of Materials Research 38 (20), 4609-4624, 2023 | 34 | 2023 |
First principles insight on mechanical stability, optical and thermoelectric response of novel lead-free Rb2ScCuBr6 and Cs2ScCuBr6 double perovskites A Ayyaz, G Murtaza, A Usman, M Umer, MQ Shah, HS Ali Materials Science in Semiconductor Processing 169, 107910, 2024 | 33 | 2024 |
DFT exploration of elastic, optoelectronic, and thermoelectric properties of stable and eco-friendly double perovskites Cs2YAuX6 (X= Cl, Br) for green energy applications A Ayyaz, G Murtaza, M Naeem, A Usman, SM Ramay, M Irfan, H Irfan Journal of Physics and Chemistry of Solids 188, 111936, 2024 | 19 | 2024 |
Comparative DFT-based investigation of physical properties of Cs2MBiBr6 (M= Ag, Cu, and Au) Perovskites: Sustainable materials for renewable energy A Ayyaz, G Murtaza, A Ahmed, SM Ramay, A Usman, G Farid, M Naeem Computational Condensed Matter 38, e00885, 2024 | 14 | 2024 |
Structural, morphological, elastic, optoelectronic and thermoelectric properties of lead-free double perovskite Na2AgBiBr6 for photovoltaic applications: Experimental and DFT … A Ayyaz, G Murtaza, A Usman, H Alkhaldi, MQ Shah, S Ali, N Sfina, ... Ceramics International 50 (9), 15261-15272, 2024 | 11 | 2024 |
First principles investigation of structural, mechanical, thermodynamic, and electronic properties of Al-based perovskites XAlH3 (X= K, Rb, Cs) for hydrogen storage M Umer, G Murtaza, N Ahmad, A Ayyaz, HH Raza, A Usman, A Liaqat, ... International Journal of Hydrogen Energy 61, 820-830, 2024 | 10 | 2024 |
Evaluation of Physical Properties of A2ScCuCl6 (A = K, Rb, and Cs) Double Perovskites via DFT Framework A Ayyaz, G Murtaza, A Usman, N Sfina, AS Alshomrany, S Younus, ... Journal of Inorganic and Organometallic Polymers and Materials, 1-16, 2024 | 10 | 2024 |
Impact of Halide Ion Occupancy on Thermodynamic, Mechanical, Electro-optic, and Electron Transport Characteristics of Rb2CuAsX6 (X = F, Cl, Br) Double … A Ayyaz, G Murtaza, Y Bakkour, M Al-Anazy Journal of Inorganic and Organometallic Polymers and Materials, 1-17, 2024 | 7 | 2024 |
Effect of position occupancy of different elements on the structural stability, optoelectronic, thermoelectric and elastic properties of Cs2CuAsX6 (X: Cl, Br, I) halide double … MQ Shah, M Shafiq, A Naeem, G Murtaza, A Ayyaz, A Usman, SM Deen, ... Materials Science in Semiconductor Processing 174, 108187, 2024 | 7 | 2024 |
Study of mechanical, optoelectronic, and thermoelectric properties of Rb2ScAuZ6 (Z= Br, I) for energy harvesting applications A Ayyaz, Q Mahmood, G Murtaza, AA Abd El-Moula, S Al-Qaisi, N Sfina, ... Inorganic Chemistry Communications 165, 112520, 2024 | 6 | 2024 |
A comprehensive DFT insight on physical features regarding potential applicability of double perovskites K2YCuZ6 (Z= Cl, Br) for energy harvesting applications A Ayyaz, G Murtaza, AA Alshihri, MB Shakir, N Naeem, M mana Al-Anazy, ... Chemical Physics Letters 843, 141258, 2024 | 6 | 2024 |
Ab initio analysis of structural, optoelectronic, thermoelectric, and elastic characteristics of K2MBiBr6 (M = Na, Ag, and Cu) for green energy MB Shakir, G Murtaza, A Ayyaz, H Khan, HI Ali, M Touqir Optical and Quantum Electronics 56 (5), 879, 2024 | 5 | 2024 |
DFT aided comparative screening of mechanical, optoelectronic, and transport properties of double perovskites Cs2ScAuX6 (X= Cl, Br, and I) for green energy applications A Ayyaz, G Murtaza, A Usman, MB Shakir, M Naeem, A El-Rayyes, ... Inorganic Chemistry Communications 165, 112527, 2024 | 4 | 2024 |
Ab Initio Study of Lead-Free Double Halide Perovskite X2GeSnCl6 (X = Na, K) Compounds for Energy Conversion System M Shafiq, MQ Shah, G Murtaza, A Ayyaz, A Usman, M Umer Arabian Journal for Science and Engineering, 1-14, 2024 | 4 | 2024 |
Structural, elastic, electronic, optical and thermoelectric properties of metal based ternary chalcopyrite semiconductor for photovoltaic application: First-principles studies M Shafiq, G Murtaza, MQ Shah, HH Raza, A Ayyaz Optik 295, 171502, 2023 | 4 | 2023 |
Probing the Structural, Electronic, Thermodynamic, Optical, and thermoelectric features of Lead-Free double perovskites Na2ScAgZ6 (Z= Br, I) for green energy harvesting MB Shakir, G Murtaza, A Ayyaz, H Khan, M Touqir, M Naeem, ... Inorganic Chemistry Communications 168, 112932, 2024 | 3 | 2024 |
Influence of alkali metal cation modifications on physical characteristics of double perovskites Rb2XTlBr6 (X= Li, Na, K): First-principles study for solar energy and … A Ayyaz, G Murtaza, N Algethami, A Usman, MB Shakir, Q Mahmood Physica B: Condensed Matter 690, 416245, 2024 | 3 | 2024 |
First-principles study of Na2AgAsZ6 (Z= F, Cl, Br, I) of structural, elastic, optoelectronic, and transport properties of lead-free halide double perovskites for energy … HI Ali, N Muhammad, G Murtaza, M Naeem, A Ayyaz, M Ali, MB Shakir Inorganic Chemistry Communications 165, 112577, 2024 | 3 | 2024 |
Study of electronic, mechanical, thermoelectric, and optical aspects of K2AlAg (Br/I) 6 for solar cells, and energy storage applications T Zelai, GM Mustafa, S Alotaibi, B Younas, F Alhajri, S Saba, ... Inorganic Chemistry Communications 163, 112344, 2024 | 3 | 2024 |