| Efficient hydrogen storage in LiMgF3: a first principle study M Mubashir, M Ali, Z Bibi, MW Younis, M Muzamil International Journal of Hydrogen Energy 50, 774-786, 2024 | 52 | 2024 |
| First-principles evaluation of LiCaF3-αHα as an effective material for solid-state hydrogen storage M Ali, Q Ain, M Alkadi, J Munir, Z Bibi, MW Younis, AAA Ahmed, ... Journal of Energy Storage 83, 110731, 2024 | 38 | 2024 |
| An accurate prediction of electronic structure, mechanical stability and optical response of BaCuF3 fluoroperovskite for solar cell application M Ali, Z Bibi, MW Younis, M Mubashir, M Iqbal, MU Ali, MA Iqbal Solar Energy 267, 112199, 2024 | 35 | 2024 |
| Structural, optoelectronic and thermodynamical insights into 2H-ZrO2: A DFT investigation M Ali, Z Bibi, MW Younis, MA Iqbal Inorganic Chemistry Communications 160, 111891, 2024 | 27 | 2024 |
| First‐principles investigation of structural, mechanical, and optoelectronic properties of Hf2AX (A═Al, Si and X═C, N) MAX phases M Ali, Z Bibi, MW Younis, K Majeed, MA Iqbal Journal of the American Ceramic Society 107 (4), 2679-2692, 2024 | 23 | 2024 |
| A computational investigation of lithium‐based metal hydrides for advanced solid‐state hydrogen storage M Ali, Z Bibi, M Mubashir, MW Younis, U Afzal, A El‐marghany ChemistrySelect 9 (10), e202304582, 2024 | 23 | 2024 |
| Effective hydrogen storage in Na2 (Be/Mg) H4 hydrides: Perspective from density functional theory M Ali, Z Bibi, M Awais, MW Younis, N Sfina International Journal of Hydrogen Energy 64, 329-338, 2024 | 15 | 2024 |
| Enhancement of hydrogen storage characteristics of Na2CaH4 hydrides by introducing the Mg and Be dopant: A first-principles study M Ali, Z Bibi, MW Younis, K Majeed, U Afzal, S Khan, NH Alotaibi, ... International Journal of Hydrogen Energy 70, 579-590, 2024 | 12 | 2024 |
| A precise prediction of structure stability and hydrogen storage capability of KCdH3 perovskite hydride using density functional theory calculations Q Ain, HT Naeem, M Ali, J Munir, Z Bibi, HM Ghaithan, AAA Ahmed, ... Journal of Energy Storage 100, 113734, 2024 | 11 | 2024 |
| Computational evaluation of novel XCuH3 (X= Li, Na and K) perovskite-type hydrides for hydrogen storage applications using LDA and GGA approach M Mubashir, M Ali, Z Bibi, U Afzal, MD Albaqami, S Mohammad, ... Journal of Molecular Graphics and Modelling, 108808, 2024 | 11 | 2024 |
| First-principles prediction of antimony based XSbF3 (X= Be, Mg, Ca and Sr) fluoroperovskites: An insight into structural, optoelectronic and thermal properties M Mubashir, Z Bibi, M Ali, M Muzamil, U Afzal, MD Albaqami Physica B: Condensed Matter 685, 415986, 2024 | 10 | 2024 |
| First-principles screening of XSbF3 (X= Ba and Ra) fluoroperovskites: an insight into structural, optoelectronic and thermal properties M Mubashir, M Ali, Q Ain, MA Khan, HM Ghaithan, Z Bibi, AS Aldwayyan, ... Physica Scripta 99 (6), 0659b3, 2024 | 10 | 2024 |
| Structural, Optoelectronic and Thermodynamical Properties of 1T Phase of Transition Metal Oxides TMO2 (TM = Zr and Hf): A first-principles Study M Ali, Z Bibi, MW Younis, H Huang, M Raheel, U Afzal, RA Alshgari, ... Journal of Inorganic and Organometallic Polymers and Materials, 1-12, 2024 | 5 | 2024 |
| Atomistic DFT Simulations are Promising Techniques for the Discovery of Hydrogen Storage Materials Z Bibi, M Ali, M Yousaf, A Zafar Journal of Engineering, Science and Technological Trends 1 (2), 100-106, 2024 | 2 | 2024 |
| Exploring the electronic structure, mechanical stability and optoelectronic responses of arsenic-based (M= Nb, Mo and X= C, N) MAX phase ceramics M Ali, Z Bibi, T Fatima, S Kanwal, H Huang, BBK Abbasi, MD Albaqami Journal of Molecular Graphics and Modelling, 108965, 2025 | | 2025 |
| A comprehensive investigation of optoelectronic and thermoelectric attributes of VCu3X4 (X= S, Se, Te) compounds for renewable energy applications M Tauqeer, M Mubashir, M Ali, Z Bibi, I Gul, M Bilal, J Mughal, D Khan, ... Physica Scripta 100 (1), 015967, 2024 | | 2024 |
Mubashar AliUniversity of Education, Lahore, Pakistan.Zweryfikowany adres z ue.edu.pk