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收藏A First-Principles Study of the Structural, Optoelectronic and Thermoelectric Properties of Ba2XIO6 (X = Li, K and Rb) for Energy Harvesting (vol 55, 221, 2025)基于第一性原理的Ba2XIO6 (X = Li, K和Rb)结构、光电器件及热电性能研究及其在能量收集中的应用(卷55,221,2025)
Ahmed, M. Awais; Ullah, Shoaib; Rehman, Khalil Ur; Murtaza, G.; Ayyaz, Ahmad; Irfan, M.; Kebaili, Imen; El-Rayyes, Ali
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收藏Comprehensive DFT study of K2TlZI6 (Z = Al, In) double perovskites: Structural stability and potential for optoelectronic and thermoelectric energy harvestingK₂TlZI₆ (Z = Al, In)双钙钛矿的全面DFT研究:结构稳定性及其在光电器件和热电器能收集方面的潜力
Sfina, N.; Boutramine, Abderrazak; Jappor, Hamad Rahman; Alfaifi, Amani H.; Alzahrani, Hind Saeed; Rached, Habib; Ali, Malak Azmat; Murtaza, G.
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收藏First-principles exploration of redox, electronic, thermoelectric, and thermodynamic properties of binary transition metal NaX1/3Mn2/3O2 (X = Ag, W, Zr) for enhanced performance of Na-ion batteries基于第一性原理对二元过渡金属NaX1/3Mn2/3O2 (X = Ag, W, Zr)的氧化还原、电子、热电和热力学性质的探索,以提升钠离子电池的性能
Usman, Ahmad; Murtaza, G.; Ayyaz, Ahmad; Boukhris, Imed; Ali, Hafiz Irfan; Shakir, M. Basit; Alkhaldi, Hanof Dawas; Touqir, Maryam; Alshahrani, Thamraa; Ashraf, Muhammad Umair
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收藏First-principles calculations to investigate magnetic, electronic, and thermoelectric response of europium-based half metallic ternary Zintl compounds EuMg2X2 (X=Sb and Bi)
Hameed, Uzma; Ullah, Hayat; Abbas, Syed Zeshan; Safeen, Kashif; Alotaibi, Khalid M.; Safeen, Akif; Yasin, Sadia; Murtaza, G.; Khalil, Fatima; Ali, Sajad; Asghar, Ghulam; Khan, Rajwali
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收藏Computational study of the structural, optoelectronic, magnetic, and thermoelectric properties of novel EuMg2C2 (C=P and As) zintl compounds
Yasin, Sadia; Ullah, Hayat; Murtaza, G.; Hameed, Uzma; Alotaibi, Khalid M.; Safeen, Kashif; Safeen, Akif; Khalil, Fatima; Khan, Rajwali; Nurmuhammedov, Anvar
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收藏Exploring energy harvesting potential of lithium-based halide perovskites Li2CuSbZ6 (Z=Cl, = Cl, Br): First principles approach
Ayyaz, Ahmad; Boukhris, Imed; Fraz, Ahmad; Alqorashi, Afaf Khadr; Mahmood, Q.; Amin, Lamiaa Galal; Murtaza, G.; Shakir, M. Basit
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收藏Structural stability, optoelectronic, thermoelectric, and elastic characteristics of X2ScBiO6 (X= Mg, Ca, and Ba) double perovskites for energy harvesting: First-principles analysis
Khan, Hummaira; Murtaza, G.; Ayyaz, Ahmad; Shakir, M. Basit; Touqir, Maryam; Iqbal, Khubaib; Usman, Ahmad; Mumtaz, Sohail; Moussa, Ihab Mohamed
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收藏Comprehensive study of structural, elastic, electronic, optical, and thermoelectric properties of Rb2NaTlZ6 (Z = Cl, Br, and I) by DFT通过DFT对Rb2NaTlZ6 (Z = Cl,Br和I) 的结构,弹性,电子,光学和热电性质进行综合研究
Shah, Syed Hatim; Song, Peng; Huang, Taihong; Shakeel, Shakeel; Khan, Shamim; Ashraf, Muhammad Waqar; Murtaza, G.
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收藏First-principles study of structural, electronic, mechanical, optical, thermodynamic and thermoelectric properties of ternary ZnSnN2 and ZnMoN2 nitrides
Murtaza, G.; Haseeb, Muhammad; Javed, A.; Rafiq, M. A.; Rasul, M. N.; Hussain, Altaf
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收藏Electronic and thermoelectric properties of YbMg2X2 (X = P, As, Sb, Bi) zintl compounds by first-principles method
Khan, Sajid; Khan, Dil Faraz; Neffati, R.; Usman, Tariq; Ahsraf, Muhammad Waqar; Khan, Shamim; Jan, Saeed Ullah; Murtaza, G.
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