Profile Picture

Muhammad Mushtaq

Assistant Professor (Postdoc)

Muhammad Mushtaq

Assistant Professor (Postdoc)

Research Area: Computational Materials Science
About Me

Dr M. Mushtaq has been working as an assistant professor in the department of Physics at University of Poonch Rawalakot since March 2023. He earned postdoc from United Arab Emirates University (UAEU) in gas sensing (first-principles investigation of two-dimensional (2D) materials as gas sensors) (March 2020-December 2020), Ph.D. in Physics (first-principles study of 2D materials) from the University of Electronic Science and Technology of China (UESTC) (2015-2018), and MS in Physics from International Islamic University Islamabad (IIUI) and awarded with gold medal distinction. He holds a VASP code license (a standard materials simulation code based on density functional theory) and leads the 2D-materials simulations research group at UPR. He has published more than SCI research articles, all recognized in web of science (WOS) and HEC journal ranking system, and an impact factor more than 130. In addition, he works as referee in Royal Society of Chemistry (RSC), Springer, IOP, and Elsevier publishers and has received recognition awards.

Degree Major University Start Date End Date
Postdoc Computational Materials Science United Arab Emirates University (UAEU) March 2020 December 2020
Ph.D. Physics University of Electronic Science and Technology of China (UESTC) August 2015 July 2018
MS Physics International Islamic University Islamabad (IIUI) September 2012 September 2014
Designation Organization Duration
Assistant Professor (Contract) Women University of Azad Jammu and Kashmir Bagh January 2020 - February 2020
Assistant Professor (HEC-IPFP) Women University of Azad Jammu and Kashmir Bagh January 2019 - January 2020
Title Description Sponsoring Agency Amount Year
Designation Department Organization From Date To Date
Description Year DOI
Mebed, A.M., Mushtaq, M., Muhammad, I., Lone, I.U.N., Al-Qaisi, S., Algethami, N., et al. Structure, half-metallic and magnetic properties of bulk and (001) surface of Rb2XMoO6 (X = Cr, Sc) double perovskites: a DFT + U study. Physica Scripta. 2023 10.1088/1402-4896/aca56b
Hossain, M. Khalid, GF Ishraque Toki, Abdul Kuddus, M. H. K. Rubel, M. M. Hossain, H. Bencherif, Md Ferdous Rahman, Md Rasidul Islam, and Muhammad Mushtaq An extensive study on multiple ETL and HTL layers to design and simulation of high-performance lead-free CsSnCl3-based perovskite solar cells. Sci Rep 2023 https://doi.org/10.1038/s41598-023-28506-2
M. Mushtaq et al. Adsorption of NOx (x=1, 2) molecule on CoFeMnSi(001) surface: first-principles insights ACS Omega 2023 (Accepted)
Mushtaq, M., Al-Qaisi, S., Faizan, M., Abdelmohsen, S.A.M., M M Abdelbacki, A., Muhammad, I. First-principles study of the (001) and (110) surfaces of CrCoIrGa Heusler alloy. Physica Scripta. 2022 10.1088/1402-4896/ac6296
Faizan, Muhammad, Xinjiang Wang, Shaimaa AM Abdelmohsen, K. C. Bhamu, Subrahmanyam Sappati, Amel Laref, Nisar Muhammad, Muhammad Mushtaq, Ashraf MM Abdelbacki, and Rabah Khenata Understanding the Electronic Structure and Optical Properties of Vacancy-Ordered Double Perovskite A2BX6 for Optoelectronic Applications. Energy & Fuels. . 2022 https://doi.org/10.1021/acs.energyfuels.2c00341
Khan, S., Wasfi, A., Mushtaq, M., Awwad, F., Tit, N. Transition-metal single atom catalyst embedded in C2N for toxic-gas reduction reaction and selective gas-sensing application: Atomic-scale study. Applied Surface Science. 2022 https://doi.org/10.1016/j.apsusc.2022.154037
Al-Qaisi, S., Mushtaq, M., Alomairy, S., Vu, T.V., Rached, H., Haq, B.U., et al. First-principles investigations of Na2CuMCl6 (M = Bi, Sb) double perovskite semiconductors: Materials for green technology. Materials Science in Semiconductor Processing. 2022 https://doi.org/10.1016/j.mssp.2022.106947
Zeffane, S., A. Haddou, M. Mokhtari, D. Amari, F. Dahmane, R. Khenata, R. Ahmed, S. Bin Omran, Abdeazim M. Mebed, and Muhammad Mushtaq Electronic and Magnetic Properties of Mn2YSn (Y = Ru, Rh, and Pd) Heusler Alloys Under Hydrostatic Pressure. Journal of Electronic Materials. 2022 https://doi.org/10.1007/s11664-022-09945-5
Chang, Z., Mebed, A.M., Mushtaq, M., Ali, H.E., Muhammad, I., Choudhary, N., et al. Adsorption, sensing, electronic and magnetic properties of phosgene (COCl2) molecule adsorbed on Nb-doped arsenene: First-principles study. Solid State Communications. 2022 https://doi.org/10.1016/j.ssc.2022.114975
Mushtaq, M., Khalid, S., Sattar, M.A., Khenata, R., Seddik, T., Dar, S.A., et al. Electronic band structure, phase stability, magnetic and thermoelectric characteristics of the quaternary Heusler alloys CoCuZrAs and CoRhMoAl: Insights from DFT computations. Inorganic Chemistry Communications. 2021 https://doi.org/10.1016/j.inoche.2020.108384
] Khan, S., Mushtaq, M., Berdiyorov, G.R., Tit, N. Relevance of metal (Ca versus Mn) embedded C2N for energy-storage applications: Atomic-scale study. International Journal of Hydrogen Energy. 2021 https://doi.org/10.1016/j.ijhydene.2020.10.040
Srivastava, V., Kaur, N., Wang, X., Mushtaq, M., Dar, S.A. First‐principles study on structural, electronic, magnetic, elastic, mechanical and thermodynamic properties of Mn2PtCo Heusler alloy. International Journal of Energy Research. 2021 https://doi.org/10.1002/er.6559
Mushtaq, M., Khan, S., Tit, N. Magnetization effect of Mn-embedded in C2N on hydrogen adsorption and gas-sensing properties: Ab-initio analysis. Applied Surface Science. 2021 https://doi.org/10.1016/j.apsusc.2020.147970
Bafekry, Asadollah, Masoud Shahrokhi, Aamir Shafique, Hamad R. Jappor, Mohamed M. Fadlallah, Catherine Stampfl, Mitra Ghergherehchi, Muhammad Mushtaq, Seyed Amir Hossein Feghhi, and Daniela Gogova Semiconducting Chalcogenide Alloys Based on the (Ge, Sn, Pb)(S, Se, Te) Formula with Outstanding Properties: A First-Principles Calculation Study. ACS omega. 2021 https://doi.org/10.1021/acsomega.0c06024
Mushtaq, M., Godara, S., Khenata, R., Usman Hameed, M. Effect of Si, Be, Al, N and S dual doping on arsenene: first-principles insights. RSC Advances. 2021 https://doi.org/10.1039/D1RA03394H
Mushtaq, M., Tit, N. Magnetic single atom catalyst in C2N to induce adsorption selectivity toward oxidizing gases. Scientific Reports. 2021 10.1038/s41598-021-95474-w
Mushtaq, M., Al-Qaisi, S., Lone, I.U.N. Computational study of phase stability, electronic, magnetic and thermoelectric properties of a new quaternary Heusler alloy CrCoIrGa. solid state communications. 2021, 342, 114636. Computational study of phase stability, electronic, magnetic and thermoelectric properties of a new quaternary Heusler alloy CrCoIrGa. solid state communications. 2021 https://doi.org/10.1016/j.ssc.2021.114636
Mushtaq, M., Dar, S.A., Sattar, M.A., R. Kouser, First-principles study of structural, electronic, magnetic, thermodynamic and mechanical properties of ferromagnetic Mn2MoAl Heuslar alloy. Journal of Molecular Graphics and Modelling. 2020 https://doi.org/10.1016/j.jmgm.2019.107507
Mushtaq, M., Muhammad, I., Ali, A., Sattar, M.A., Muhammad, S. First-principles search for half-metallic ferromagnetism in CsCrZ2 (Z= O, S, Se or Te) Heusler alloys. Journal of Molecular Graphics and Modelling. 2020 https://doi.org/10.1016/j.jmgm.2020.107620
Muhammad, I., Zhang, J.-M., Ali, A., Mushtaq, M., Muhammad, S. Theoretical study of half-metallicity in the bulk and (001) oriented thin-films of the CoMn1-xFexCrAl and CoMn1-xCoxCrAl (x= 0.00, 0.25, 0.50, 0.75 or 1.00) Heusler alloys. Materials Chemistry and Physics. 2020 https://doi.org/10.1016/j.matchemphys.2020.123297
Muhammad, Iltaf, Jian-Min Zhang, Anwar Ali, Yu-Hong Huang, Xiu-Mei Wei, Suleman Muhammad, and Muhammad Mushtaq Bandgap engineering of the (001) oriented thin-films of the Heusler alloys Co2‒xFexCrAl (x= 0.00, 0.25, 0.50, 0.75 or 1.00). Thin Solid Films. 2020 https://doi.org/10.1016/j.tsf.2020.138341
Muhammad, I., Zhang, J.-M., Ali, A., Mushtaq, M., Muhammad, S. Stable half-metallicity in the (001)-oriented thin films of Co-doped full-Heusler alloys Ti2Fe1− xCoxSn (x= 0.00, 0.25, 0.50, 0.75 or 1.00). Journal of Physics: Condensed Matter. 2020 10.1088/1361-648X/ab832d
Mushtaq, M., Sattar, M., Dar, S.A., Qasim, I., Muhammad, I. Search for half-metallicity in new ferrimagnetic quaternary MnXMoAl (X= Co and Ti) Heusler alloys: A DFT based investigation. Materials Chemistry and Physics. 2020 https://doi.org/10.1016/j.matchemphys.2020.122779
Mushtaq, M., Sattar, M.A., Dar, S.A. Phonon phase stability, structural, mechanical, electronic, and thermoelectric properties of two new semiconducting quaternary Heusler alloys CoCuZrZ (Z= Ge and Sn). International Journal of Energy Research. 2020 https://doi.org/10.1002/er.5373
Li, B., Xiang, X., Liao, W., Han, S., Yu, J., Jiang, X., Wang, H., Mushtaq, M., Yuan, X., Zu, X. and Fu, Y. Improved laser induced damage thresholds of Ar ion implanted fused silica at different ion fluences. Applied Surface Science. 2019 https://doi.org/10.1016/j.apsusc.2018.11.210
Mushtaq, M., Zhou, Y., Xiang, X. Exploring the effect of nanoholes on arsenene: a density functional theory study. Journal of Physics: Condensed Matter. 2018 10.1088/1361-648X/aab6c5
Nadeem, K., Ullah, A., Mushtaq, M., Kamran, M., Hussain, S., Mumtaz, M. Effect of air annealing on structural and magnetic properties of Ni/NiO nanoparticles. Journal of Magnetism and Magnetic Materials. 2016 https://doi.org/10.1016/j.jmmm.2016.05.064
Mebed, A.M., Mushtaq, M., Faizan, M., Neffati, R., Laref, A., Godara, S., et al. Adsorption of CO over the Heusler alloy CrCoIrGa (001) surface: first-principles insights. RSC Advances. 0000 https://doi.org/10.1039/D2RA03043H
Al-Qaisi, S., Mushtaq, M., Alzahrani, J.S., Alkhaldi, H., Alrowaili, Z.A., Rached, H., et al. First-principles calculations to investigate electronic, structural, optical, and thermoelectric properties of semiconducting double perovskite Ba2YBiO6. Micro and Nanostructures. 0000 https://doi.org/10.1016/j.micrna.2022.207397