Dr. Rana M. Arif Khalil
https://profiles.bzu.edu.pk/marifkhalil
Qualification:
PhD(University of Salford, Greater Manchester, UK).
Research Interests:
Materials Simulation and Modeling
Email Address:
Other Information:
CV/Resume:
Research Papers
| 2024 | Ab-initio study about the structural, optoelectronic, magnetic, and elastic properties of novel combinations of 2D MXenes M3C2 M Zr, Mo for energy harvesting applications (Journal) R.M. Arif Khalil , Mushahid Hussain Shah , Muhammad Iqbal Hussain , Nouf H. Alotaibi , Saikh Mohammad Fayyaz Hussain Ghulam Meeladi |
Journal: httpswww.sciencedirect.comjournalphysica-b-condensed-matter, Publisher: Elsevier, Vol.: 685, Issue: httpsdoi.org10.1016j.mssp.2024.108735 Pages: 416016, |
| 2024 | The exploration of physical properties of 2D MXenes M3N2 M Ti, Hf, Zr, Mo through the first principles approach The energy harvesting materials (Journal) R.M. Arif Khalil , Muhammad Iqbal Hussain , Mushahid Hussain Shah, Tahani I. Al-Muhimeed , Ghazanfar Nazir, Fayyaz Hussain , Umair Mumtaz |
Journal: computational-materials-science, Publisher: Elsevier, Vol.: 182, Issue: httpsdoi.org10.1016j.commatsci.2024.112947 Pages: 108735, |
| 2024 | First-Principles prediction of the structural stability, optoelectronic, magnetic properties and mechanical response of olivine type LiMPO4 M Ni, Cu phosphate materials for energy storage applications (httpsdoi.org10.1016j) Mushahid Hussain Shah , R.M. Arif Khalil , Muhammad Usman , Muhammad Iqbal Hussain , Fayyaz Hussain, Munirah D. Albaqami , Saikh Mohammad , Jamal Abdul Nasir |
Journal: computational-and-theoretical-chemistry, Publisher: Elsevier, Vol.: 1235, Issue: Pages: 114579, |
| 2023 | First principles study of the structural, half-metallic ferromagnetism, magnetic, and transport properties of KXO2 (X = Pr, Nd, and Pm) hexagonal oxides (Journal Paper) Bisma Tariq , G. Murtaza , Hassan Ali , Samia Razzaq , R.M. Arif Khalil , Muhammad IqbalHussain , Khawar Ismail , Ghazanfar Nazir , Nouf H. Alotaibi |
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| 2023 | DFT-based systematic study on the structural, optoelectronic, thermodynamic, vibrational, and mechanical behavior of Ruddlesden Popper perovskites Sr2XO4 (X = Zr, Hf) for optoelectronic applications (Journal Paper) R. M. Arif Khalil, Muhammad Iqbal Hussain, Bushra Karim , Hind Albalawi,Khalid I.Hussein, Fayyaz Hussain |
Pages: e27216 , |
| 2023 | A DFT engineering of double halide type perovskites Cs2SiCl6, Cs2GeCl6, Cs2SnCl6 for optoelectronic applications (Journal Paper) Malik Shafqat Hayat , R.M. Arif Khalil |
Issue: 361 Pages: 115064 , |
| 2023 | Exploration of the structural, optoelectronic, magnetic, elastic, vibrational, and thermodynamic properties of molybdenum-based chalcogenides A2MoSe4 (A =Li, K) for photovoltaics and spintronics applications: a first-principle study (Journal Paper) Muhammad Ali, R.M.Arif Khalil, IqbalHussain,Fayyaz Hussain |
Publisher: , Vol.: 11 , Issue: 27 Pages: , |
| 2023 | An ab initio investigation of the structural, mechanical, electronic, optical, and thermoelectric characteristics of novel double perovskite halides Cs2CaSnX6 (X = Cl, Br, I) for optically influenced RRAM devices (Journal Paper) Saira Kiran, Umair Mumtaz, Aymen Mustafa,Muhammad Imran, Fayyaz Hussain, Umbreen Rasheed, R. M |
Publisher: , Vol.: , Issue: Pages: 11192 , |
| 2023 | Ab-initio exploration of unique and substantial computational properties of double hydrides Cs2CaTlH6, Cs2SrTlH6, & Cs2BaTlH6, for the computational manufacturing of hydrogen fuel cell: A DFT study (Journal Paper) Malik Shafqat Hayat and R.M. Arif Khalil |
Pages: 108600 , |
| 2022 | Ab-initio calculation of electronic, mechanical, optical and phonon properties of ZrXH 3 (X = Co, Ni and Cu): A key towards potential hydrogen storage materials (Journal Paper) Samia Razzaq, G.Murtza, R.M.Arif Khalil. Nazir Ahmad, Hafiz Hamid |
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| 2022 | RSC Adv., 12 (2022) 11649-11656. https://doi.org/10.1039/D1RA08103A (Journal Paper) Ejaz Ahmad Khera, Chandreswar Mahata, Muhmmad Imran Niaz Ahmad Niaz Fayyaz Hussain, R. M. Arif Khalil, Umbreen Rasheed and SungjunKim |
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| 2022 | An insight into structural, electronic and optical characteristics of Mo1-xMxO3 (M = Zr, Y, ZrY) for the formation of conducting filaments in optoelectronic memory devices: A first principles study (Journal Paper) Ejaz Ahmad Khera, Ubreen Rasheed, Muhmmad Imran, Hafeez Ulllah, Fayyaz Hussain, R. M. Arif Khalil, Farhana Kousar,Muhammad Qasim |
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| 2022 | DFT based study of the structural, optoelectronic, mechanical and magnetic properties of Ti3AC2 (A=P, As, Cd) for coating applications (Journal Paper) R. M. Arif Khalil, Muhammad Iqbal Hussain, Fayyaz Hussain, Nadia Luqman Anwar Manzoor Rana |
Vol.: 12 , Pages: 4395 , |
| 2022 | Exploration of the structural, optoelectronic and vibrational behavior of Sb2S3 through the first principles approach for phenomenal applications in solar cells (Journal Paper) R. M. Arif Khalil, Muhammad Iqbal Hussain, Nyla Saeed, Fayyaz Hussain, Anwar Manzoor Rana, Amjad Ali,H.H.Somaily |
Pages: 54779 , |
| 2022 | Density functional theory studies of the structural, optoelectronic, bond stiffness and lattice dynamical properties of double perovskite oxides M2YVO6 (M= Mg, Sr): Promising candidates for optoelectronic applications (Journal Paper) Muhammad Iqbal Hussain and R.M.Arif Khalil |
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| 2022 | Theoretical Investigation of Origin of Quantized Conduction in 2D Layered Ruddleson–Popper Perovskite Heterostructure for the RRAM Applications (Journal Paper) Umbreen Rasheed ,Muhammad Imran ,Abdul Shakoor ,Niaz Ahmad Niaz ,Fayyaz Hussain ,Rana Muhammad Arif Khalil ,Mohammad Alkhedher and Sayed M. Eldin |
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| 2022 | Theoretical expolartion of site ive Perovskites for the application of electronic and optoresponsive memory devices (Journal Paper) Umbreen Rasheed, Muhammad Imran, R.M.Arif Khalil. Muhammad Naeem Ashiq Chandreswar Mahata, Fayyaz Hussain |
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| 2022 | Ab-initio calculations of the structural, electronic and optical response of KXCl3 (X = be, Ca and Sr) for optoelectronic applications (Journal Paper) Ayesha Zia G.Murtaza, Khawar Ismail R.M. ArifKhalil Muhammad Iqbal Hussain |
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| 2022 | “Effect of Manganese Catalysts on the Performance of Anodes in Direct Carbon Fuel Cells (Journal Paper) Amjad Ali, Sajid Munir, Mubushar Majeed, Arif Khalil, Muhammad Iqbal Hussain, and Rizwan Raza |
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| 2021 | Density functional theory insight into metal ions and vacancies for improved performance in storage devices (Journal Paper) Umbreen Resheed, Turki Alsuwian, Muhammad Imran, Hassan Algadi, Ejaz Ahmad Khera, R. M. Arif Khalil, Chandreswar Mahata, Fayyaz Hussain |
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| 2021 | DFT based first principles study of novel combinations of perovskite-type hydrides XGaH3 (X = Rb, Cs, Fr) for hydrogen storage applications (Journal Paper) R. M. Arif Khalil, Muhammad Iqbal Hussain Anwar Manzoor Rana, Fayyaz Hussain |
Pages: 11 , |
| 2021 | First-Principles Simulation of Structural, Electronic and Optical Properties of Cerium Trisulfide (Ce2S3) Compound (Journal Paper) R.M. Arif Khalil, Muhammad Iqbal Hussain, Muhammad Imran, Fayyaz Hussain, Nyla Saeed, G. Murtaza, Anwar Manzoor Rana, and Chandreswar Mahta |
Pages: 1637 , |
| 2021 | Computational study of TbMn2O5 and Tb2MnCoO6 to probe the structural, vibrational and optoelectronic properties using PBE + U Functional (Journal Paper) R. M. Arif Khalil, Muhammad Iqbal Hussain, Ayesha Batool, ,Fayyaz Hussain, Anwar Manzoor Rana, Nadia Luqman |
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| 2021 | Studies of electrical and optical properties of cadmium‐doped zinc oxide for energy conversion devices (Journal Paper) Marriam Zahra. Amjad Ali Arif Khalil , Saif Ur Rehman, Naveed Mushtaq Muhammad Akbar, Rizwan Raza |
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| 2021 | Effect of dopants on the structural, optoelectronic and magnetic properties of pristine AgGaO3 perovskite: A first principles study (Journal Paper) R.M. Arif Khalil, Muhammad Iqbal Hussain, Rabail Fatima, Fayyaz Hussain, Anwar Manzoor Rana, H.H. Hegazy, Abeer Mera |
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| 2020 | DFT based insight into the magnetic and thermoelectric characteristics of XTaO3 (X = Rb, Fr) ternary perovskite oxides for optoelectronic applications (Journal Paper) Muhammad Iqbal Hussain, R. M. Arif Khalil, Fayyaz Hussain, Anwar Manzoor Rana |
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| 2020 | Ab initio prediction of the structural, electronic and optical behavior of novel combinations of ternary perovskite oxides ATiO3 (A = Rb, Cs, Fr) using the Hubbard ‘U’ correction for optoelectronic devices (Journal Paper) Muhammad Iqbal Hussain, R. M. Arif Khalil, Fayyaz Hussain, Anwar Manzoor Rana |
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