Search Results - "Basit Shakir, M."

DFT aided comparative screening of mechanical, optoelectronic, and transport properties of double perovskites Cs2ScAuX6 (X = Cl, Br, and I) for green energy applications by Ayyaz, Ahmad, Murtaza, G., Usman, Ahmad, Basit Shakir, M., Naeem, Maha, El-Rayyes, Ali, Boukhris, Imed, Khan, Hummaira

“…[Display omitted] •Cs2ScAuCl6, Cs2ScAuBr6 and Cs2ScAuI6 have FCC cubic structure (Fm3.m space group).•The evaluation of elastic properties confirmed the…”
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Probing the Structural, Electronic, Thermodynamic, Optical, and thermoelectric features of Lead-Free double perovskites Na2ScAgZ6 (Z=Br, I) for green energy harvesting by Basit Shakir, M., Murtaza, G., Ayyaz, Ahmad, Khan, Hummaira, Touqir, Maryam, Naeem, Maha, Karmouch, Rachid, Irfan Ali, Hafiz, Ibraheem, Awad A.

“…[Display omitted] •The materials are stable in their cubic structure.•All materials exhibit indirect bandgaps.•Theoptical propertiesdepict that the materials…”
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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 conversion applications by Irfan Ali, Hafiz, Muhammad, Nawaz, Murtaza, G., Naeem, Maha, Ayyaz, Ahmad, Ali, Muhammad, Basit Shakir, M.

“…[Display omitted] •Na2AgAsZ6 (Z = F, Cl, Br, I) are stable both thermodynamically and in their cubic form.•All materials are ductile except Na2AgAsBr6 which is…”
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Computational insight on K2AuBiX6 (X = F, Cl, Br, I) double perovskites to comprehensively investigate mechanical, optoelectronic, and thermoelectric features for green energy applications by Basit Shakir, M., Murtaza, G., Ayyaz, Ahmad, Touqir, Maryam, Khan, Hummaira, Akremi, Ali, Irfan Ali, Hafiz, Usman, Ahmad, Altowyan, Abeer S., Iqbal, Khubaib

“…•K2AuBiX6(X = F, Cl, Br, I)are stable in cubic phase.•The structural stability is confirmed by the negative formation energy, tolerance factor and molecular…”
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First principles study of optoelectronic, thermoelectric, and mechanical features of double perovskites K2AgGaZ6 (Z = Cl, Br) for energy harvesting perspectives by Ayyaz, Ahmad, Irfan, M., Shakir, M. Basit, Khan, Hummaira, Karmouch, Rachid, Ibrahium, Hala A., Albalawi, Hind, Mahmood, Q.

“…Potassium-based perovskites hold the potential to substantially modify renewable technology by developing eco-friendly devices. A thorough analysis of…”
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Influence of alkali metal cation modifications on physical characteristics of double perovskites Rb2XTlBr6 (X=Li, Na, K): First-principles study for solar energy and thermoelectric applications by Ayyaz, Ahmad, Murtaza, G., Algethami, Norah, Usman, Ahmad, Shakir, M. Basit, Mahmood, Q.

“…In the present work, we used a first-principles method to examine novel direct band gap combinations of double perovskites Rb2XTlBr6 (X = Li, Na, K) and…”
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A comprehensive DFT insight on physical features regarding potential applicability of double perovskites K2YCuZ6 (Z = Cl, Br) for energy harvesting applications by Ayyaz, Ahmad, Murtaza, G., Alshihri, Abdulaziz A, Shakir, M. Basit, Naeem, Naeema, Al-Anazy, Murefah mana, Ali, Muhammad

“…The significant absorption in visible as well as ultraviolet region and higher ZT values suggest that K2YCuZ6 (Z=Cl, Br) double perovskites are suitable for…”
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Ab initio analysis of structural, optoelectronic, thermoelectric, and elastic characteristics of K2MBiBr6 (M = Na, Ag, and Cu) for green energy by Shakir, M. Basit, Murtaza, G., Ayyaz, Ahmad, Khan, Hummaira, Ali, Hafiz Irfan, Touqir, Maryam

“…In the current investigation, we have explored the structural, electrical, optical, thermoelectric, and elastic features of potassium(K) based halide double…”
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Structural stability, optoelectronic, thermoelectric, and elastic characteristics of X2ScBiO6 (X= Mg, Ca, and Ba) double perovskites for energy harvesting: First-principles analysis by khan, Hummaira, Murtaza, G., Ayyaz, Ahmad, Shakir, M. Basit, Touqir, Maryam, Iqbal, Khubaib, Usman, Ahmad, Mumtaz, Sohail, Moussa, Ihab Mohamed

“…Double perovskites have emerged as a potential new material for optoelectronic and thermoelectric applications. We explored structural, electronic, optical,…”
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Exploring energy harvesting potential of lithium-based halide perovskites Li2CuSbZ6 (Z=Cl, Br): First principles approach by Ayyaz, Ahmad, Boukhris, Imed, Fraz, Ahmad, Alqorashi, Afaf Khadr, Mahmood, Q., Amin, Lamiaa Galal, Murtaza, G., Shakir, M. Basit

“…Recent research has focused on investigating the physical characteristics of the halide perovskite combinations, Li2CuSbZ6 (Z = Cl, Br) within the context of…”
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Exploration of physical aspects of Li2AgAsZ6 (Z = F, Cl, Br, I) double perovskites for energy harvesting perspectives by Ali, Hafiz Irfan, Muhammad, Nawaz, Murtaza, G., Naeem, Maha, Raza, Hafiz Hamid, Usman, Ahmad, Saleem, Saba, Shakir, M. Basit, Almashnowi, Majed Y., Ashraf, Muhammad Umair, Ayari-Akkari, Amel

“…[Display omitted] •The physical properties of Li2AgAsZ6 (Z = F, Cl, Br, I) are calculated via First-principle method.•Structural and thermodynamic stability of…”
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DFT Evaluation of Physical Characteristics of Novel Antiperovskites K3CuO and K3AgO for Optoelectronic and Thermoelectric Technologies by Ayyaz, Ahmad, Mahmood, Q., Ali, Syed Kashif, Naeem, Maha, Amin, Lamiaa Galal, Shakir, M. Basit, Kebaili, Imen, Mahmoud, Safwat A.

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DFT Insight on Future Prospects of Double Perovskites A2YCuZ6 (A = Rb, Cs and Z = Cl, Br) for Energy Conversion Technologies by Ayyaz, Ahmad, Murtaza, G., El-Rayyes, Ali, Hussain, Muhammad, Alqorashi, Afaf Khadr, kebaili, Imen, Shakir, M. Basit, Mahmood, Q.

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Ab initio analysis of structural, electronic, magnetic, thermodynamic, and elastic properties of Half Heusler alloys ZMnAs (Z = Be, Mg) for spintronics applications by Touqir, Maryam, Murtaza, G., Ayyaz, Ahmad, Shakir, M. Basit, Usman, Ahmad, Khan, Hummaira, Algethami, Norah, Rehman, Hafeez Ur, Rehman, M. Faisal

“…In this study, the structural, electronic, magnetic, thermodynamic, and elastic attributes of ZMnAs (Z = Be, Mg) have been investigated. These Half-Heusler…”
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