Dr. Azeem Ghulam Nabi
Designation : Lecturer
Specialization : Physics
Office Exten : 216
Specialization : Physics
Email : [email protected]
Office Number : +(92) (053) 3643112Office Exten : 216
Dr. Azeem Ghulam Nabi is Lecturer in Department of Physics, University of Gujrat. He is working in this department since 2010. He had completed his PhD research (2019-2023) work from Queen Mary University of London, England and Pakistan Institute of Engineering and Applied Sciences (PIEAS), Pakistan. He produced several research articles in well reputed journal using high performance parallel computing (HPC) such as APOCRITA (QMUL) and YOUNG (UCL). He has a proven track record of publications in computational condensed matter and materials science. During his MPhil degree (2010-2014) from University of Gujrat he had successfully established the computational setup as research assistant later as research officer, where he assisted several MPhil and BS students. His ability to work collaboratively with scientists from diverse backgrounds and his willingness to take a leading role in supervising junior group members have been key to his success.
Theoretical techniques encompass electronic structure methods, first principles, classical dynamics, and continuum approaches and Experimental techniques include XRD, Raman spectroscopy, SEM, TEM, CV, LSV and EIS to study photo-electrocatalysis of CO2 Reduction and water (H2O) splitting, Li-ion batteries, and magnetic materials.
- PhD,Pakistan Institute of Engineering & Applied Science
- MPhil,University of Gujrat
- MSc,University of Gujrat
- BSc,University of Punjab
- FSc,Gujranwala Board of Intermediate & Secondary Education
- Matric,Gujranwala Board of Intermediate & Secondary Education
- Faculty development program Scholarship HEC split program to serve at least one year abroad
- Best Teacher Award QEC and Departmental evaluation 2013
- Physics Society of UOG 2007-todate
- Pakistan Physical Society 2014-todate
| Student Name | Degree | Title | Status / Completed Year |
|---|---|---|---|
| SALMAN NAZIR | BS | THE FIRST PRINCIPLES INVESTIGATION OF 2D ZnO/MoSTe HETEROSTRUCTURE AS A MODEL PHOTOCATALYST FOR WATER SPLITTING The ever-growing needs of energy has shifted the attention of humanity towards achieving environmentally friendly and renewable sources of energy. Hydrogen fulfills both the requirements owing to its no harmful by combustion and its vast resource because it can be obtained from oceans. In the production of hydrogen, photo-catalysts have central importance because these materials utilize sunlight in order to split water for hydrogen generation making the process economical and pollution free. Two-dimensional materials have become extremely important in optoelectronics, photocatalysis, and other modern uses applications. To that end, a heterostructure consisting of ZnO and MoSTe monolayer has been studied in this work for its geometric, electronic and the optical properties as well as the photo-catalytic activity of the water splitting by using the first principles calculations. The structure of both the heterostructure has the stacking configuration of first class (c) ZnO/Janus MoSTe and second class of (f) ZnO/Janus MoTeS heterostructure has stable because of its binding energy of -0.294 eV -0.308eV. MoSTe has the indirect band gap and the ZnO monolayer has direct band gap by using the approach of the GGA and HSE06. ZnO/Janus MoSTe and ZnO/Janus MoTeS has indirect band gap values. A strong optical absorption is also seen for the heterostructure, which is higher than that of both individual monolayers then the VBE and CBE potentials are calculated to understand the optical and the photo-catalytic behavior of these systems. This supports the heterostructure potential as a suitable photocatalyst for the splitting of water and provides a pathway for the future applications. | 2024 |
| FARKHANDA AMEER | BS | THE FIRST PRINCIPLES INVESTIGATION OF 2D ZnO/MoSTe HETEROSTRUCTURE AS A MODEL PHOTOCATALYST FOR WATER SPLITTING The ever-growing needs of energy has shifted the attention of humanity towards achieving environmentally friendly and renewable sources of energy. Hydrogen fulfills both the requirements owing to its no harmful by combustion and its vast resource because it can be obtained from oceans. In the production of hydrogen, photo-catalysts have central importance because these materials utilize sunlight in order to split water for hydrogen generation making the process economical and pollution free. Two-dimensional materials have become extremely important in optoelectronics, photocatalysis, and other modern uses applications. To that end, a heterostructure consisting of ZnO and MoSTe monolayer has been studied in this work for its geometric, electronic and the optical properties as well as the photo-catalytic activity of the water splitting by using the first principles calculations. The structure of both the heterostructure has the stacking configuration of first class (c) ZnO/Janus MoSTe and second class of (f) ZnO/Janus MoTeS heterostructure has stable because of its binding energy of -0.294 eV -0.308eV. MoSTe has the indirect band gap and the ZnO monolayer has direct band gap by using the approach of the GGA and HSE06. ZnO/Janus MoSTe and ZnO/Janus MoTeS has indirect band gap values. A strong optical absorption is also seen for the heterostructure, which is higher than that of both individual monolayers then the VBE and CBE potentials are calculated to understand the optical and the photo-catalytic behavior of these systems. This supports the heterostructure potential as a suitable photocatalyst for the splitting of water and provides a pathway for the future applications. | 2024 |
| SHIZZA NAWAZ | BS | DENSITY FUNCTIONAL THEORY STUDY OF CHROMIUM DOPED WURTZITE ZINC SULPHIDE The electronic and magnetic properties of Cr doped wurtzite ZnS were studied by means of most advanced theoretical approach density functional theory (DFT) using generalized gradient approximation (GGA) functional and its correction factor GGA+U. Calculations have shown that doping of chromium at cationic sites of wurtzite zinc sulphide results in formation of a p-type semiconductor. Addition of hubbard term in the system causes an increase in band gap value and creates a gap between spin up and spin down channels for 3d states of chromium atoms. Chromium doped ZnS possess half metallic character because of excess in majority spin carriers than minority ones. Hopping of electrons in anti-bonding states of chromium atoms refers to the ferromagnetic behavior of the material. Half metallicity and ferromagnetic nature of the chromium doped wurtzite zinc sulphide makes this material a best candidate to be used in the field of spintronics. | 2018 |
| RIMSHA ZAHID | BS | A DENSITY FUNCTIONAL THEORY STUDY OF ELECTRONIC PROPERTIES OF ROCKSALT, ZINCBLENDE AND WURTZITE STRUCTURES OF ZNX (X= O, S, Se, Te) The electronic properties of pure of zinc monochalcogenides ZnX (X=O,S,Se, Te) with different phases is studied by means of density functional theory using different functionals GLLB-Sc, TB-mBJ, KTB-mBJ, JTS-mTB-mBJ implemented in ADF-BAND. The comparative study of different functional shows that KTB-mBJ functional is more efficient than all others. The contour plots are drawn to show the covalent bonding is present between II-VI group elements. | 2018 |
| Aqsa Khalid | BS | The Study of Vibrational Modes of pure and Mn-doped SnO nano-clusters: First Principles Calculations The present work consist of a systematic study to know the influence of Mn doping on structural, electronic and optical properties of SnO nano-particles (NPs). The calculations are performed using Generalized Gradient Approximation (GGA) in the frame work of density functional theory implemented in Amsterdam Density Functional (ADF). The 4-atom, 6-atom, 8-atom and 14-atom molecules of pure and Mn doped SnO are studied. The energy gap is affected by the dopant and its value decreases with increase number of atoms. The Raman and IR spectra are also studied which are comparable to the reported results. The calculated Raman peaks of pure and doped clusters are in the range of 170 cm-1, 250 cm-1, 400cm-1 and 480cm-1, 175cm-1, 280cm-1, 600 cm-1, 2000 cm-1 respectively, which are also confirmed by experiment. | 2016 |
| Nabia Zainab | BS | The Study of Vibrational Modes of pure and Mn-doped ZnTe nano-clusters: First Principles Calculations The current work consists of systematic study of the effect of Mn doping on electronic, optical and structural properties of ZnTe nanoparticles (NPs). The calculations are done by using the Generalized Gradient Approximation (GGA) in the frame work of Density Functional Theory (DFT) implemented in Amsterdam Density Functional (ADF). We have studied the 4, 6, 8, and 14-atoms pure and Mn-doped ZnTe NPs. The Raman and IR spectra are studied in detail. Vibrational spectra and isosurface plots of these structures of these NPs are also investigated. Moreover, we have studied the band gap and HOMO-LUMO figures. It is observed that band gap is effected by the dopant atom and decreases when the number of atoms in the NPs increases. Moreover, the Raman and IR spectra show new peaks with the doping of Mn in ZnTe | 2016 |
| ZARMEENA AKHTAR | BS | THE LUMINISCENCE, ELECTRONIC AND MAGNETIC PROPERTIES OF WURTZITE Mn : CdS, Cr : CdS AND Cr-Mn : CdS In this research work, Density Functional Theory (DFT) based on generalize gradient approximation (GGA) and GGA+U, U is hubbard term, is used to study the electronic properties of CdS doped with different dopant (Cr, Mn). In the beginning, the calculations are carried out for Mn doped CdS and Cr doped CdS, after which co-doping phenomenon is studied by doping Mn and Cr in CdS simultaneously. It is found that hopping of electron is possible with Cr:CdS and Mn:Cr:CdS while Mn:CdS does not allow the hopping of electrons. Moreover, double exchange interactions are observed in Cr:CdS and d-d super-exchange interactions are observed in Mn:CdS. Now the problem becomes interesting when one magnetic ion (Cr) supporting double exchange interactions and other ion (Mn) supporting d-d super-exchange interactions are doped simultaneously in same system (CdS). The co-doped CdS is more stable even at high Curie temperature due to p-d double exchange interactions and d-d super exchange interactions. Furthermore, the Cr-3d and Mn-3d states present in between the band gap are responsible for inner shell transitions and hence for optical properties. Therefore, co-doped system is taken into account to enhance its applications in the field of spintronic and magneto-optical devices. | 2016 |
- Coordinator Minor Courses (2025-todate)
- Member in Uploading of Schemes of Studies & Course Outline of all Undergraduate Degree Programs in Newly Developed Online Module 2025
- SAR 2023 preparation
- Member Board of Studies in 2024
- Term system Paper setting and marking
- Monitoring evening classes since Spring-2023 to-date
- Member BS MPhil and PhD admission committees(2015, 2016, 2017, 2018, 2023 and 2024)
- Coordinator Minor Courses (2015-2019)
- Proctor in different Convocations
- Member Discipline committee
- BS, MPhil, and PhD thesis evaluation since Spring 2023
- Supervision of BS and MPhil students
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1. Akshayini Muthuperiyanayagam, Azeem Ghulam Nabi, Qi Zhao, Aman-ur-Rehman and Devis Di Tommaso “Adsorption, activation, and conversion of carbon dioxide on small copper–tin nanoclusters” Physical Chemistry Chemical Physics, April 2024 DOI:
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2. BiBi Hanifan, Abdul Jalil, Syed Zafar Ilyas, Azeem Ghulam Nabi* and Devis Di Tommaso “Enhanced photocatalytic water splitting with two-dimensional van der Waals heterostructures of BAs/WTeSe” Materials Advances, April 2024 DOI:
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3. Wuyang Lin, Azeem Ghulam Nabi, Matteo Palma, and Devis Di Tommaso “Copper Nanowires for Electrochemical CO2 Reduction Reaction” Acs Nano, February 2024 DOI:
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4. Qurat Ul Ain Asif, Hamayl Asim, Azeem Ghulam Nabi, Muaz Rehman, Aamir Shahzad, Muhammad Kashif and Akhtar Hussain “First-principles study of metals, metalloids and halogens doped monolayer MoSe2 to tune its electronic properties” Physica Scripta, September 2023 DOI:
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5. Wangchao Yuan, Nivetha Jeyachandran, Tingke Rao, Azeem Ghulam Nabi, Matteo Bisetto, Devis Di Tommaso, Tiziano Montini, Cristina Giordano “Study on the Structure vs Activity of Designed Non-Precious Metal electrocatalysts for CO2 Conversion” Materials Letters, June 2023 DOI:
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6. Akhtar Hussain, Azeem Ghulam Nabi, Saqib Javaid “ Remarkable reactivity of Fe modified Cu(100) surface towards CO2 decomposition: A DFT study” Materials Today Communications, January 2023 DOI:
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7. Azeem Ghulam Nabi, Aman-ur-Rehman, Akhtar Hussain, Gregory A. Chass, and Devis Di Tommaso “ Optimal Icosahedral Copper-Based Bimetallic Clusters for the Selective Electrocatalytic CO2 Conversion to One Carbon Products” Nanomaterials, December 2022 DOI:
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8. Azeem Ghulam Nabi*, Aman-ur-Rehman, Nabia Zainab, Muhammad Hamza Akhlaq, Nisar Ahmed & Akhtar Hussain “First Principles Study of Vibrational Modes and Raman Spectra in Mn Doped ZnTe Nano Clusters, Journal of Cluster Science, 2022. ” Journal Of Cluster Science, November 2022 DOI:
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9. Azeem Ghulam Nabi*, Aman-ur-Rehman, Akhtar Hussain, Devis Di Tommaso* “Ab initio random structure searching and catalytic properties of copper-based nanocluster with Earth-abundant metals for the electrocatalytic CO2-to-CO conversion” Molecular Catalysis, June 2022 DOI:
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10. Shogo Sunahiro, Keita Nomura, Shunsuke Goto, Kazuya Kanamaru, Rui Tang, Masanori Yamamoto, Takeharu Yoshii, Junko N. Kondo, Qi Zhao, Azeem Ghulam Nabi, Rachel Crespo-Otero, Devis Di Tommaso, Takashi Kyotani and Hirotomo Nishihara “Synthesis of graphene mesosponge via catalytic methane decomposition on magnesium oxide” Journal Of Materials Chemistry A, June 2021 DOI:
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11. Qurat ul Ain Asif, Akhtar Hussain, Azeem Nabi, Muhammad Tayyab & Hafiz Muhammad Rafique “Computational study of X-doped hexagonal boron nitride (h-BN): structural and electronic properties (X = P, S, O, F, Cl)” Journal Of Molecular Modeling, January 2021 DOI:
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12. M. Junaid Iqbal Khan, Zarfishan Kanwal, Masood Yousaf, Azeem Nabi, Javed Ahmad, Abid Latif, Hamid Ullah “Investigating structural, electronic and optical properties of CdS:Cr (A GGA and GGA+U study)” Solid State Sciences, October 2020 DOI:
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13. M. Arshad Javid, Zafar Ullah Khan, Zahid Mehmood, Azeem Nabi, Fayyaz Hussain, M. Imran, Muhammad Nadeem, and Naeem Anjum “Structural, electronic and optical properties of LiNbO3 using GGA-PBE and TB-mBJ functionals: A DFT study” International Journal Of Modern Physics B, April 2020 DOI:
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14. Muhammad Tariq, Waqas Qamar Zaman, Yiyi Wu, Azeem Nabi, Zain Abbas, Waheed Iqbal, Wei Sun, Zhang Hao, Zhen Hua Zhou, Limei Cao, Ji Yang “ Facile synthesis of IrO2 nanoparticles decorated @ WO3 as mixed oxide composite for outperformed oxygen evolution reaction” International Journal Of Hydrogen Energy, November 2019 DOI:
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15. M. Junaid Iqbal Khan, Zarfishan Kanwal, M. Nauman Usmani, Masood Yousef, Perveen Akhtar, and Azeem Nabi “ Effect of Ni concentration on optical properties of rocksalt CdS system (A DFT+U study)” International Journal Of Modern Physics B, September 2018 DOI:
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16. Tahir Iqbal, Saba Khalil, Mohsin Ijaz, Khalid Nadeem Riaz, Muhammad Isa Khan, Muhammad Shakil, Azeem Ghulam Nabi, Muhammad Javaid, Muhammad Abrar & Sumera Afsheen “Optimization of 1D Plasmonic Grating of Nanostructured Devices for the Investigation of Plasmonic Bandgap, Plasmonics, 2018. ” Plasmonics, September 2018 DOI:
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17. Nisar Ahmed, Azeem Nabi, Jawad Nisar, Muhammad Tariq, Muhammad Arshad Javid, M. H. Nasim “First principles calculations of electronic and magnetic properties of Mn-doped CdS (zinc blende): a theoretical study” Materials Science-Poland, October 2017 DOI:
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18. Nisar Ahmed, Jawad Nisar, R Kouser, Azeem G Nabi, S Mukhtar, Yasir Saeed and M H Nasim “Study of electronic, magnetic and optical properties of KMS2 (M = Nd, Ho, Er and Lu): first principles calculations” Materials Research Express, June 2017 DOI:
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19. Azeem Nabi, Zarmeena Akhtar, Tahir Iqbal, Atif Ali and Muhammad Arshad Javid “ The electronic and magnetic properties of wurtzite Mn:CdS, Cr:CdS Mn:Cr:CdS: first principles calculations, Journal of Semiconductors, 2016. ” Journal Of Semiconductor Technology And Science, June 2017 DOI:
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20. M. Junaid Iqbal Khan, Shahzeen Babar, Azeem Nabi, A. Manzoor Rana, Mazhar Iqbal, Saif Ur Rehman, Javed Ahmad “Theoretical studies of optical properties of Cu doped rocksalt CdS, Journal of Alloys and Compounds” Journal Of Alloys And Compounds, February 2017 DOI:
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21. Sajjad Hussain Shah, Ghulam Nabi, Waheed S. Khan, Abdul Majid, Chuanbao Cao, Safdar Ali, Mudassar Hussain, Azeem Nabi, Saadi Ishaq, Faheem K. Butt “Solvo-thermal synthesis of AlN nano-needles: Their photoluminescence and field emission properties” Materials Letters, September 2015 DOI:
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22. Azeem Nabi “The electronic and the magnetic properties of Mn doped wurtzite CdS: First-principles calculations” Computational Materials Science, August 2015 DOI:
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23. Muhammad Arshad Javid, M Afzal Khan, Naima Amin, Azeem Nabi “ Calcification in Globus Pallidus and Putamen of Multiple Sclerosis Patients Versus Healthy Subjects Using Quantitative Susceptibility Mapping, Iranian Journal Radiology” Iranian Journal Of Radiology, July 2015 DOI:
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24. Azeem Nabi, Riaz Hussain, M. Hassan Farooq, Muhammad Zubair “ Experimental and Theoretical Investigation of Ferromagnetism in Mn-Doped SnO, Nanoscience and Nanotechnology Letters, 2014. ” Nanoscience And Nanotechnology Letters, November 2014 DOI:
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25. Abdul Majid, Amna Dar, Azeem Nabi, Abdul Shakoor, Najmul Hassan, Arshad Junjua, Zhu Jianjun “Optical, electronic and magnetic properties of Cr : GaN thin films” Materials Chemistry And Physics, October 2012 DOI:
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26. Abdul Majid, Raees Ahmad, Azeem Nabi, Abdul Shakoor, and Najmul Hassan “A Density Functional Theory Study of Raman Modes of Hydrogenated Cadmium Sulphide Nanoparticles” Nanomaterials And Nanotechnology, January 2012 DOI:
- Designed are repaired hot plates in the department ( New Products Developed )
- Hot AIr Oven, this is first time in the history of department of Physics, UOG. This is currently in working, ( New Products Developed )
- Trying to develop lab based electrocatalysis setup with indigenous resources ( New Products Developed )
- Developed Computational based on solid state physics and quantum mechanics, the software could be commercialized if institute/Oric provide some support. ( Software )