Department:  Faculty of Sciences, Department of Chemistry

Position:  Assistant Professor

HEC Approved Supervisor:  YES

Research Intersts:  Computational Chemistry - DFT, TD-DFT studies of Donor and Acceptor Materials for Organic Photovoltaics and Optoelectronic Devices, Quantum Dots for Dyes Sensitized Solar Cells, Anticancer Drugs, Drug Delivery Materials, Thermally Activated Delayed Fluorescence Materials for OLEDs.

Publications:  

1. Aqsa Saeed, Shabbir Muhammad, Shafiq-ur Rehman, Shamsa Bibi, Abdullah G Al-Sehemi, and Muhammad Khalid, 2020, Exploring the Impact of Central Core Modifications among Several Push-Pull Configurations to Enhance Nonlinear Optical Response, Journal of Molecular Graphics and Modelling, 100, 107665
2. Shafiq UrRehman, Asma Alam, Shamsa Bibi, Sana Sadaf, Shanza Rauf Khan, Muhammad Shoaib, Abdul Qayyum Khan, Mehwish Khan, and Waheed UrRehman, 2020, The Effect of Different Aromatic Conjugated Bridges on Optoelectronic Properties of Diketopyrrolopyrrole-Based Donor Materials for Organic Photovoltaics, Journal of Molecular Modeling, 26, 154
3. Muhammad Yaseen, Muhammad Dilawar, Hina Ambreen, Shamsa Bibi, Shafiq Ur Rehman, Umair Shahid, Mehwish Khalid Butt, Abdul Ghaffar, and Adil Murtaza, 2020, Electronic, Optical and Magnetic Properties of Low Concentration Ni-Doped CdSe by First Principle Method, Bulletin of Materials Science, 43, 0
4. Muhammad Yaseen, Amna Ashfaq, Anam Akhtar, Rida Asghar, Hina Ambreen, Mehwish Khalid Butt, Saima Noreen, Shafiq Ur Rehman, Shamsa Bibi, and Shahid M Ramay, 2020, Investigation of LaAlO3 Perovskite Compound for Optoelectronic and Thermoelectric Devices under Pressure, Materials Research Express, 7, 15907
5. Muhammad Yaseen, Hina Ambreen, Abu Sufyan, Mehwish Khalid Butt, Shafiq UrRehman, Javed Iqbal, Misbah, Shamsa Bibi, Adil Murtaza, and Shahid M Ramay, 2020, Optical and magnetic properties of manganese doped zinc sulphide: density functional theory approach, Ferroelectrics, 557, 112-22
6. Muhammad Sohail, Muhammad Zeshan Ashraf, Raziya Nadeem, Shamsa Bibi, Rabia Rehman, and Muhammad Adnan Iqbal, 2020, Techniques in the synthesis of organometallic compounds of tungsten, Reviews in Inorganic Chemistry, 40, 1-45
7. Muhammad Shoaib, Shafiq ur-Rehman, Shamsa Bibi, Inam Ullah, Saba Jamil, Javed Iqbal, Asma Alam, Ushna Saeed, and Fu Quan Bai, 2019, Theoretical Investigation of Perylene Diimide derivatives as Acceptors to Match with Benzodithiophene based Donors for Organic Photovoltaic Devices, Zeitschrift für Physikalische Chemie, 0, 0
8. Ahmad Waqas, Shamsa Bibi, Shafiq‐ur Rehman, Sufian Afzal, Muhammad Yaseen, Muhammad Shoaib, Ushna Saeed, and Wang Da Ming, 2019, Substitutional effect of different bridging groups on optical and charge transfer properties of small bipolar molecules for OLEDs, Journal of Physical Organic Chemistry, 32, 4000
9. Ushna Saeed, Shamsa Bibi, Shafiq ur‐Rehman, Shanza Rauf Khan, Muhammad Shoaib, Muhammad Adnan Iqbal, Faisal Nawaz, and Ran Jia, 2019, Designation and Match of Non?Fullerene Acceptors with X?Shaped Donors toward Organic Solar Cells, ChemistrySelect, 4, 3654
10. Shamsa Bibi, Rehman Shafiq ur, Ran Jia, Hong-Xing Zhang, and Fu-Quan Bai, 2019, Effect of different topological structures (D-?-D and D-?-A-?-D) on the optoelectronic properties of benzo[2,1-B:3,4-B?]dithiophene based donor molecules toward organic solar cells, Solar Energy, 186, 311
11. M. Yaseen, H Ambreen, U Shoukat, Mk Butt, S Noreen, Shafiq urRehman, J Iqbal, Shamsa Bibi, A Murtaza, And Sm Ramay,, 2019, Investigation of Cr Doped CdTe for Optoelectronic and Spintronic Devices Applications, Journal of Ovonic Research, 15, 401
12. Shanza Rauf Khan, Maria Batool, Saba Jamil, Shamsa Bibi, Sobia Abid, and Muhammad Ramzan Saeed Ashraf Janjua, 2019, Synthesis and Characterization of Mg–Zn Bimetallic Nanoparticles: Selective Hydrogenation of p-Nitrophenol, Degradation of Reactive Carbon Black 5 and Fuel Additive, Journal of Inorganic and Organometallic Polymers and Materials, 30, 438
13. Zhang, Z. , W. Wei, F. Bai, S. Bibi, and H. Zhang, 2017, The phosphorescence properties of a series of diarylethene-containing platinum complexes: the effect of ligand photoisomerization, Org. Chem. Front., 4, 2191-2201
14. Fu, P. , J. Wang, R. Jia, S. Bibi, R. I. Eglitis , and H. X. Zhang, 2017, Theoretical study on hydrogen storage capacity of expanded h-BN systems, Computational Materials Science, 139, 335-340
15. Zeenat , Z. , J. I, S. BiBi , S. Sadaf , and B. Eliasson, 2017, Designing Benzodithiophene-Based Donor Materials with Favorable Photovoltaic Parameters for Bulk Heterojunction Organic Solar Cells, Chemistry Select, 2, 5628-5639
16. Rehman, W. , L. Yuanxin, J. Guiyun, W. Yongqin, S. Réhman, S. Bibi, N. Iqbal, M. A. Zaheer, I. Azhar, and Y. Xiaogao, 2017, Control of oil film thickness for hydrostatic journal bearing using PID disturbance rejection controller, IEEE, , 543-547
17. Zhi-Xiang Zhang, Wei Wei, Fu-Quan Bai, Shamsa Bibi, and Hong-Xing Zhang, 2017, The phosphorescence properties of a series of diarylethene-containing platinum complexes: the effect of ligand photoisomerization, Organic Chemistry Frontiers, 4, 2191
18. Zeenat Zara, Javed Iqbal, Shamsa BiBi, Sana Sadaf, and Bertil Eliasson, 2017, Designing Benzodithiophene?Based Donor Materials with Favorable Photovoltaic Parameters for Bulk Heterojunction Organic Solar Cells, ChemistrySelect, 2, 5628
19. Peng Fu, Jing Wang, Ran Jia, Shamsa Bibi, Roberts I. Eglitis, and Hong-Xing Zhang, 2017, Theoretical study on hydrogen storage capacity of expanded h-BN systems, Computational Materials Science, 139, 335
20. Adnan , M. , J. Iqbal, S. BiBi, R. Hussain, M. N. Akhtar, M. A. Rashid, B. Eliasson, and K. Ayub, 2016, Fine Tuning the Optoelectronic Properties of Triphenylamine Based Donor Molecules for Organic Solar Cells, Zeitschrift für Physikalische Chemie International journal of research in physical chemistry and che, 6, 1127-1139
21. Bibi, S. , and J. Zhang, 2016, Theoretical studies to investigate the effect of different cores and two different topologies on the optical and charge transfer properties of donor materials for organic solar cells, New Journal of Chemistry, 40, 3693-3704
22. Muhammad Adnan, Javed Iqbal, Shamsa BiBi, Riaz Hussain, Muhammad Nadeem Akhtar, Muhammad Abid Rashid, Bertil Eliasson, and Khurshid Ayub, 2016, Fine Tuning the Optoelectronic Properties of Triphenylamine Based Donor Molecules for Organic Solar Cells, Zeitschrift für Physikalische Chemie, 6, 231
23. Shamsa Bibi, and Jingping Zhang, 2016, Theoretical studies to investigate the effect of different cores and two different topologies on the optical and charge transfer properties of donor materials for organic solar cells, New Journal of Chemistry, 40, 3693
24. Li Hao, Fu-Quan Bai, Chui-Peng Kong, Shamsa Bibi, and Hong-Xing Zhang, 2016, Theoretical studies of heteroatom-doping in TiO2 to enhance the electron injection in dye-sensitized solar cells, RSC Advances, 5, 79868
25. Bibi, S. , and J. Zhang, 2015, The ratio and topology effects of benzodithiophene donor-benzooxadiazole acceptor fragments on the optoelectronic properties of donor molecules toward solar cell materials, Phys. Chem. Chem. Phys, 17, 7986-7999
26. Hao, L. , F. Bai, C. Kong, S. Bibi, and H. Zhang, 2015, Theoretical studies of heteroatom-doping in TiO2 to enhance the electron injection in dye-sensitized solar cells, RSC Advances, 5, 79868-7987
27. Shamsa Bibi, and Jingping Zhang, 2015, The ratio and topology effects of benzodithiophene donor–benzooxadiazole acceptor fragments on the optoelectronic properties of donor molecules toward solar cell materials, Physical Chemistry Chemical Physics, 17, 12
28. Bibi, S. , P. Li, and J. Zhang, 2013, X-Shaped donor molecules based on benzo [2,1-b:3,4-b] dithiophene as organic solar cell materials with PDIs as acceptors, Journal of Materials Chemistry A, 1, 13828-1384
29. Shamsa Bibi, Ping Li, and Jingping Zhang, 2013, X-Shaped donor molecules based on benzo[2,1-b:3,4-b?]dithiophene as organic solar cell materials with PDIs as acceptors, Journal of Materials Chemistry A, 1, 13128

TTS

+92-41-9200161 Ext 3309

+92-41-9200764

03354455210

shamsa.shafiq@uaf.edu.pk