-
Sundus Ajmal, G. Murtaza, Fizza Aftab, Wajid Ali, Ahmad Ayyaz, Ali Akremi,and Imed Boukhris
(2025).
"A Computational Investigation of Structural, Electronic, Thermoelectric, and Electrochemical Properties of Binary Transition Metal NaTM1/3Fe2/3O2–δ (TM = Ag, Nb, W) as Na-ion Battery Cathode Materials."
Journal of The Electrochemical Society
.
DOI:
10.1149/1945-7111/adfa46 | Impact Factor:
3.3
-
M. Awais Ahmed, Shoaib Ullah, Khalil Ur Rehman, G. Murtaza, Ahmad Ayyaz, M. Irfan, Imen Kebaili, Ali El‑Rayyes
(2025).
"A First‑Principles Study of the Structural, Optoelectronic and Thermoelectric Properties of Ba2XIO6 (X = Li, K and Rb) for Energy Harvesting."
Brazilian Journal of Physics
.
DOI:
10.1007/s13538-025-01847-1 | Impact Factor:
1.7
-
Maryam Masood, Ghulam Murtaza, Nadia Ahmad, Maryam Touqir, Iram Hafiz, Ahmad Usman, Ahmad Ayyaz, Nazir Ahmad
(2025).
"An ab-initio study of the physical properties of Ge-based perovskites (XGeH3: X=Mg, Ca, and Sr) for potential hydrogen storage application."
International Journal of Hydrogen Energy
.
DOI:
10.1016/j.ijhydene.2024.11.470 | Impact Factor:
8.3
-
Samah Al-Qaisi, Nazia Iram, N. Sfina, Abderrazak Boutramine, Hamad Rahman Jappor, Amani H. Alfaifi, Hind Saeed Alzahrani, Habib Rached, Malak Azmat Ali, G. Murtaza
(2025).
"Comprehensive DFT Study of K2TlZI6 (Z = Al, In) Double Perovskites: Structural Stability and Potential for Optoelectronic and Thermoelectric Energy Harvesting."
Physica B: Condensed Matter
.
DOI:
10.1016/j.physb.2025.417239 | Impact Factor:
2.8
-
Ahmad Ayyaz, Imed Boukhris, Ahmad Fraz, Afaf Khadr Alqorashi, Q. Mahmood, Lamiaa Galal Amin, G. Murtaza, M. Basit Shakir
(2025).
"Exploring Energy Harvesting Potential of Lithium-Based Halide Perovskites Li2CuSbZ6 (Z=Cl, Br): First Principles Approach."
Materials Science in Semiconductor Processing
.
DOI:
10.1016/j.mssp.2024.108968 | Impact Factor:
4.6
-
Ahmad Ayyaz, Q. Mahmood, Noura Dawas Alkhaldi, G. Murtaza, Ahmad Usman, Muhammad Abaid Ullah, Imen kebaili, Hind Albalawi
(2025).
"Exploring hydrogen storage potential, thermodynamic, and optoelectronic characteristics of novel double perovskite hydrides Na2LiXH6 (X = Al, Sc, and Ga): DFT analysis."
Journal of Energy Storage
.
DOI:
10.1016/j.est.2025.116650 | Impact Factor:
9.8
-
Maryam Touqir, G. Murtaza, Ahmad Ayyaz, Ahmad Usman, M. Basit Shakir, Saba Saleem, Hummaira khan, Muhammad Umair Ashraf, Khalid M. Elhind
(2025).
"First-principles calculations to investigate Electronic, half-metallicity, thermodynamics, thermoelectric and mechanical properties of new Half-Heusler alloys FeCoZ (Z = Si, Ge, and Pb)."
Computational and Theoretical Chemistry
.
| Impact Factor:
2.8
-
Ahmad Usman, G. Murtaza, Ahmad Ayyaz, Imed Boukhris, Hafiz Irfan Ali, M. Basit Shakir, Hanof Dawas Alkhaldi, Maryam Touqir, Thamraa Alshahrani, Muhammad Umair Ashraf
(2025).
"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."
Inorganic Chemistry Communications
.
DOI:
10.1016/j.inoche.2025.114157 | Impact Factor:
5.4
-
Fizza Aftab, G. Murtaza, Sundas Ajmal, Ahmad Ayyaz, Ali Akremi, Samah Al-Qaisi, Hind Albalawi, Mohd Taukeer Khan
(2025).
"First-principles investigation of transition metal-substituted layered oxides KMn2/3TM1/3O2 (TM = Cr, Nb, Ag) as promising cathode materials for potassium-ion batteries."
Journal of Physics and Chemistry of Solids
.
DOI:
10.1016/j.jpcs.2025.112962 | Impact Factor:
4.9
-
Sayada Ayesha Zia Bukhari, Ayesha Parveen, Muhammad Sajid, Hassan Ali, Gamil A. A. M. Al-Hazmi, Khawar Ismail, Ghulam Murtaza, Yazen. M. Alawaideh, Muhammad Jamil
(2025).
"First-principles study of structural, electronic, optical, and thermoelectric properties of BaTMSe2 (TM = Fe, Co, and Ni) for optoelectronic devices."
Journal of Sol-Gel Science and Technology
.
DOI:
10.1007/s10971-025-06774-w | Impact Factor:
3.2
-
Sidra Younus, G. Murtaza, Haya Alhummiany, M Hassan, Murefah Mana Al-Anazy, Q Mahmood, El Sayed Yousef and Ali S Alshomrany
(2025).
"Investigation of structural, magnetic, and dielectric properties of BaFe12O19/Pr1−xSrxCoyMn1−yO3 composites; an emerging aspirant for high frequency applications."
Physica Scripta
.
DOI:
10.1088/1402-4896/ad95ca | Impact Factor:
2.6
-
Hummaira Khan, G. Murtaza, Ahmad Ayyaz, M. Basit Shakir, Maryam Touqir, Khubaib Iqbal, Ahmad Usman, Sohail Mumtaz, Ihab Mohamed Moussa
(2025).
"Structural stability, optoelectronic, thermoelectric, and elastic characteristics of X2ScBiO6 (X= Mg, Ca, and Ba) double perovskites for energy harvesting: First-principles analysis, Materials Science in Semiconductor Processing."
Materials Science in Semiconductor Processing
.
DOI:
10.1016/j.mssp.2024.108911 | Impact Factor:
4.6
-
Ahmad Usman, G. Murtaza, Muhammad Younas, Ali Akremi, Ahmad Ayyaz , Haya Alhummiany, Syed Kashif Ali, Kanza Altaf, Hisham S.M. Abd-Rabboh, Sadia Sharif, Q. Mahmood
(2025).
"Study of Pr doped nanocrystalline LiCoO2 cathode material for spintronic."
Materials Chemistry and Physics
.
DOI:
10.1016/j.matchemphys.2024.130133 | Impact Factor:
4.7
-
Mudassir Ishfaq, Ali Raza Iftikhar, Hassan Ali, Khawar Ismail, Ghulam Murtaza, Gamil A. A. M. Al-Hazmi, Muhammad Jamil
(2025).
"Theoretical analysis of double perovskite A2HfNiO6 (where A = Ba, Ca, and Sr) for structural, elastic optical, electronic, thermoelectric and magnetic properties for spintronics applications."
Materials Science and Engineering: B
.
DOI:
10.1016/j.mseb.2025.118198 | Impact Factor:
4.6
-
Zoha Afzal, Sajid Butt, Muhammad Rizwan, Sajid Ur Rehman, Saeeda Sajjad, Zahid Usman, G. Murtaza
(2024).
"First principles investigation of structural, electronic, optical, transport properties of double perovskites X2TaTbO6 (X= Ca, Sr, Ba) for optoelectronic and energy harvesting applications,."
Journal of Physics and Chemistry of Solids
.
DOI:
10.1016/j.jpcs.2024.112432 | Impact Factor:
4.9
