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Mubashar Ali
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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
222024
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
192023
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
172024
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
172023
Achieving controllable multifunctionality through layer sliding
M Ali, M Yousaf, J Munir
Journal of Molecular Graphics and Modelling 126, 108638, 2024
162024
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
162023
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
122024
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
122024
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
122024
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
122024
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
92024
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
82024
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
82023
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
72024
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
42024
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
22024
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
22024
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
12024
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
2024
Assessment of heavy metals level in chicken with indeterminate analysis in localities of Lahore, Pakistan
N Ahmad, U Afzal, R Zafar, M Arslan, S Riaz, S Naseem, M Naeem, ...
Environmental Monitoring and Assessment 196 (5), 458, 2024
2024
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