Faculty Profile

Dr. Muhammad Khalid
Assistant Professor
Ph.D. & Post. Doctorate (University of São Paulo (USP), Brazil)

Muhammad Khalid was born in 1984 in Punjab (Pakistan) and He completed his PhD under the supervision of Prof. W. J. Baader at the University of Sao Paulo, Brazil. Moreover, he did Post-Doctoral research with the research group of Prof.Ataualpa A. C. Braga.

    1.   Khalid, et al., Promising impact of push–pull confguration into designed octacyclic naphthalene‑based organic scafolds for nonlinear optical amplitudes: a quantum chemical approach. Scientific Reports, 2023, 13:20104. DOI: https://doi.org/10.1038/s41598-023-44327-9.
    2. Khalid, et al., Role of extended end-capped acceptors in non-fullerene based compounds towards photovoltaic properties. Journal of Photochemistry & Photobiology, A: Chemistry, 2023, 448, 115292. DOI: https://doi.org/10.1016/j.jphotochem.2023.115292.
    3. Khalid, et al., Exploration of photovoltaic properties towards efficient organic solar cells for Thieno[3,2-b]thiophene fused naphthalene core based acceptor derivatives. Journal of Photochemistry & Photobiology, A: Chemistry, 2023, 447, 115279. DOI: https://doi.org/10.1016/j.jphotochem.2023.115279.
    4. Khalid, et al., Photovoltaic response promoted via intramolecular charge transfer in pyrazoline-based small molecular acceptors: Efficient organic solar cells. Arabian Journal of Chemistry, 2023, 16, 11, 105271. DOI: https://doi.org/10.1016/j.arabjc.2023.105271. 
    5. Khalid, et al., Structural modeling of 1,4 azaborine-based chromophores for organic solar cells using bracing units with benzothiophene-incorporated acceptors for exploration of photovoltaic behavior, Journal of Photochemistry & Photobiology, A: Chemistry, 2023, 445, 115091. DOI: https://doi.org/10.1016/j.jphotochem.2023.115091.
    6. Khalid, et al., Designing Strategies towards Non-Fullerene DTCR1 Based Compounds for the Exploration of Non-linear Optical Behavior Journal of Saudi Chemical Society, 2023, 27, 101603. DOI: https://doi.org/10.1016/j.jscs.2023.101683.
    7. Khalid, et al., Exploration of photovoltaic behavior of fused triphenylamine moiety as core donor with modified acceptors: Star-shaped D-π-A conjugated systems. Materials chemistry and physics, 2023, 299, 127528 DOI: https://doi.org/10.1016/j.matchemphys.2023.127528.
    8. Khalid, et al., Theoretical designing of non‑fullerene derived organic heterocyclic compounds with enhanced nonlinear optical amplitude: a DFT based prediction, Scientific Reports, 2022, 12:20220. (IF=4.996)
    9. Khalid, et al., First theoretical framework for highly efcient photovoltaic parameters by structural modifcation with benzothiophene‑incorporated acceptors in dithiophene based chromophores, Scientific Reports, 2022, 12:20148.
    10. Khalid, et al., First theoretical probe for efficient enhancement of optical nonlinearity via structural modifications into phenylene based D–p–A configured molecules†, RSC-Advances, 2022, 12, 31192–31204. DOI: 10.1039/d2ra04844b.
    11. Khalid, et al., Exploration of Interesting Photovoltaic Behavior for Fused Benzothiophene dioxide Moiety as Core Donor with Modification in Acceptors for High Efficacy Organic Solar Cells. RSC-Advances, 2022, 12, 29010.
    12. Khalid, et al., Solvent polarity influence on chemiexcitation efficiency of inter and intramolecular electron-transfer catalyzed chemiluminescence Photochemistry and photobiology, A: Chemistry, 2022, 433:114161. DOI: https://doi.org/10.1016/j.jphotochem.
    13. Khalid, et al., Influence of End-Capped Modifications in the Nonlinear Optical Amplitude of Nonfullerene-Based Chromophores with a D−π−A Architecture: A DFT/TDDFT Study, ACS Omega, 2022, 7, 23532−23548. DOI: https://doi.org/10.1021/acsomega.2c02052.
    14. Khalid, et al., Enriching NLO Efficacy via Designing of Non-Fullerene Molecules with Modification of Acceptor Moieties into ICIF2F: An Emerging Theoretical Approach, RSC. Adv. 2022, 12, 13412–13427. DOI: 10.1039/d2ra01127a.
    15. Khalid, et al., Exploration of Promising Optical and Electronic Properties of (Non-Polymer) Small Donor Molecules for Organic Solar Cells. Scientific Reports.2021, 11 (1), 21540. https://doi.org/10.1038/s41598-021-01070-3.
    1. Khalid, et al., Efficient tuning of small acceptor chromophores with A1-π-A2-π-A1 configuration for high efficacy of organic solar cells via end group manipulation. Journal of Saudi Chemical Society, 2021, (25) 101305. https://doi.org/10.1016/j.jscs.2021.101305.
    2. Khalid, et al., Persistent Prevalence of Supramolecular Architectures of Novel Ultrasonically Synthesized Hydrazones Due to Hydrogen Bonding [X–H⋯O; X=N]: Experimental and Density Functional Theory Analyses. Journal of Physics and Chemistry of Solids, 2021 148, 109679. https://doi.org/10.1016/j.jpcs.2020.109679.  

    Our group is interested:

    • Exploration of novel nonlinear optical chromophores via DFT-based study.
    • Exploration of efficient non fullerene based electron acceptors for organic solar cells.
    • Elucidation of reaction mechanisms of organic chromophores.

    • Dr. Atta-ur-Rahman Gold android-chrome-192x192 Medal (2023) in Chemistry.
    • NRPU Project No: 14703, (Total cost of Rs. 8436750/-)
    • Enlisted in the world ranking of the top 2% of scientists (Stanford University).
    • Teaching Assistant Scholarship (Brazil, USP) 2013.
    • Pró-Reitoria de Pós-Graduação Scholarship (Brazil, USP) 2013.
    • Junior Research Scholarship (Pakistan, HEJ, UK) 2009-2011.
    • GRE Chemistry Subject Test (ETS, USA), 74 Percentile, 2010.
    • Junior Research Scholarship (Pakistan, HEJ, UK) 2009-2011.
    • Active Reviewer: Reviewing research publications of journals etc in the field of NLO and DFT studies.
    • The thesis of 39 MS students has been completed with MK (Supervisor)
    • Two PhD students have been enrolled with MK (Supervisor)
    • Achieved 1st Position in Poster Presentation: Participated in Poster presentation Poster presentation, “Computational Study of Triphenylamine Dicyanovinylene Based Nonlinear Optical Compounds: Interactive Design Computation of π-Linkers” in 7th International Conference on Semiconductor Materials & Nano Devices at KFUEIT RYK.
    • Achieved 1st Position in Poster Presentation, “SC-XRD and optical nonlinearity insights of organic chromophores” in project exhibition 2021 organized by: Department of chemistry, Khwaja Fareed University of Engineering and Information Technology Rahim Yar Khan, Pakistan.
    • Certificate of Appreciation for Excellent Research and dedication towards duties, Session: 2019-2020, KFUEIT, RYK
    • Achieved 2nd Position in Poster Presentation, “First principle study of electronic and optical nonlinearity of D-p-A configured chromophore” in project exhibition 2021 organized by: Department of chemistry, Khwaja Fareed University of Engineering and Information Technology Rahim Yar Khan, Pakistan.
    • Achieved 3rd Position in Poster Presentation, “Nonlinear optical properties of D-π-A based organic compounds” in project exhibition 2021 organized by: Department of chemistry, Khwaja Fareed University of Engineering and Information Technology Rahim Yar Khan, Pakistan.

    • Institute of Chemistry, Khwaja Fareed University of Engineering & Information Technology, Rahim Yar Khan, 64200, Pakistan