| 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 | 51 | 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 | 37 | 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 |
| Layer-sliding-mediated controllable synthetic strategy for the preparation of multifunctional materials M Ali, M Yousaf, H Naeem, J Munir Materials Today Communications 37, 107022, 2023 | 33 | 2023 |
| Tuning the thermoelectric and optoelectronic attributes of lead-free novel fluoroperovskites Cs2BB'F6 (B= Rb, In, Na and B'= Ir, As, Rh): A first-principles investigation H Murtaza, Q Ain, J Munir, HM Ghaithan, M Ali, AAA Ahmed, SMH Qaid Journal of Physics and Chemistry of Solids 190, 111934, 2024 | 32 | 2024 |
| CO Adsorption on two-dimensional 2H-ZrO2 and its effect on the interfacial electronic properties: implications for sensing M Ali, J Munir, MJI Khan, M Yousaf, MW Younis, MA Saeed Physica Scripta 98 (11), 115801, 2023 | 31 | 2023 |
| Achieving controllable multifunctionality through layer sliding M Ali, M Yousaf, J Munir Journal of Molecular Graphics and Modelling 126, 108638, 2024 | 29 | 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 |
| Layer-sliding-mediated reversible tuning of interfacial electronic and optical properties of intercalated ZrO2/MoS2 van der Waals heterostructure MW Younis, T Akhter, M Yousaf, J Munir, H Naeem, M Ali Journal of Materials Research 38 (23), 4995-5007, 2023 | 25 | 2023 |
| 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 |
| Controlled dynamic variation of interfacial electronic and optical properties of lithium intercalated ZrO2/MoS2 vdW heterostructure MW Younis, T Akhter, M Yousaf, M Ali, H Naeem Journal of Molecular Graphics and Modelling 127, 108694, 2024 | 18 | 2024 |
| Controlled dynamic variation of interfacial electronic and optical properties of sodium-intercalated silicene/hBN heterostructure M Ali, M Yousaf, J Munir, MJI Khan, Q ul Ain, MW Younis The European Physical Journal Plus 138 (12), 1151, 2023 | 18 | 2023 |
| 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 | 13 | 2024 |
| Realization of controllable multifunctionality by interfacial engineering: the case of silicene/hBN van der Waals heterostructure MW Younis, M Yousaf, T Akhter, M Ali, J Munir Modelling and Simulation in Materials Science and Engineering 32 (2), 025006, 2024 | 12 | 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 |
| 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 | 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 |
| 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 | 9 | 2024 |
Zunaira BibiGovt. Islamia Graduate College, Kasur.Verified email at gick.edu.pk