EL Mokhtar Darkaoui | 2D and 3D Materials Based DFT | Best Researcher Award

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Mr. EL Mokhtar Darkaoui | 2D and 3D Materials Based DFT | Best Researcher Award

Ph.d at Sultan Moulay Slimane University, Morocco

DARKAOUI EL Mokhtar is a Ph.D. student at the Polydisciplinary Faculty, Sultan Moulay Slimane University, Beni Mellal, Morocco, specializing in materials physics. His research focuses on 2D MXenes and their applications in energy storage and hydrogen storage. He employs computational modeling, simulation, and characterization techniques using software such as VESTA, Wien2k, Quantum Espresso, and Yambo. He has contributed to multiple publications and conferences, emphasizing density functional theory (DFT) and first-principles investigations in material sciences.

Publication Profile 

Orcid

Educational Background 🎓

  • 2022 – Present: Ph.D. in Materials Physics, Sultan Moulay Slimane University, Morocco

  • 2020 – 2022: Master in Modern Physics, Sultan Moulay Slimane University, Morocco

  • 2019 – 2020: Licence in Theoretical Physics, Sultan Moulay Slimane University, Morocco

  • 2017 – 2019: DEUG in Physics, Sultan Moulay Slimane University, Morocco

  • 2016 – 2017: Baccalaureate in Experimental Physics, Demnate High School, Morocco

Professional Experience 💼

  • Teaching Experience (Sultan Moulay Slimane University, Morocco)

    • 2024 – 2025: Practical and tutorial sessions in Nanomaterials and Application, Mechanics, Circuit Electric, and Nuclear Physics

    • 2023 – 2024: Practical work in Material Physics, Optical Physics, and Electromagnetism in Vacuum

  • Other Experiences:

    • 2023: Participated in a workshop on renewable energy integration using AI at the National School of Applied Sciences, Beni Mellal

    • 2023: Served on the Organizing Committee for the 1st Edition of Doctoral Day, focusing on interdisciplinary research and skill development

    • 2020 – 2022: Provided support and reinforcement courses in physics and mathematics at School Kifaya, Beni Mellal

Research Interests 🔬

  • 2D MXenes materials for energy storage and hydrogen storage

  • First-principles calculations using Density Functional Theory (DFT)

  • Photovoltaics and optoelectronic applications

  • Computational materials science using Quantum Espresso, Wien2k, and Yambo

  • Perovskite and rare-earth-based scintillation materials

Awards and Honors🏆✨

  • Multiple oral presentations at international conferences, including:

    • E-WAV 2024 (Energy, Water, Advancements and Visions Conference, Marrakech, Morocco)

    • EMCMRE-7 (Euro-Mediterranean Conference on Materials and Renewable Energies, Morocco)

    • EAMix 2024 (Energy in Africa Conference, UM6P Campus, Morocco)

  • Published multiple peer-reviewed research articles on MXenes, perovskites, and rare-earth-based scintillation materials

  • Active participant in national and international scientific workshops

Conclusion🌟

DARKAOUI EL Mokhtar is an emerging researcher in materials physics, with a strong focus on computational modeling and first-principles investigations of 2D MXenes. His work contributes significantly to the advancement of energy storage technologies and clean energy solutions. Through active participation in international conferences, scientific collaborations, and teaching, he continues to build expertise in quantum materials and optoelectronic applications. His commitment to DFT-based computational studies highlights his role in bridging theoretical research with practical energy applications.

Publications 📚

  • 🟢 Comprehensive investigation of Rb₂LuCl₅ and Rb₂PrCl₅ rare earth-based scintillation materials using density functional theory
    📖 Materials Research Bulletin (2025)
    🔗 DOI: 10.1016/j.materresbull.2024.113071
    ✍️ Contributors: Zaghrane, A.; Ouhenou, H.; Darkaoui, E.; Abbassi, A.; Taj, S.; Manaut, B.; Razouk, A.

  • 🔵 Investigation of Ba₂SmOsO₆ and Ba₂InOsO₆ double perovskite oxide for spintronic and linear optoelectronic applications using DFT and DFT+U methods
    📖 Journal of Magnetism and Magnetic Materials (June 2025)
    🔗 DOI: 10.1016/j.jmmm.2025.172980
    ✍️ Contributors: Darkaoui, E.; Mouslih, S.; Islah, J.; Archi, M.; Abbassi, A.; Taj, S.; Manaut, B.; Ez-Zahraouy, H.

  • 🟡 Computational study of stability, photovoltaic, and thermoelectric properties of new inorganic lead-free halide perovskites
    📖 EPL (2024)
    🔗 DOI: 10.1209/0295-5075/ad2cb7
    ✍️ Contributors: Agouri, M.; Ouhenou, H.; Waqdim, A.; Zaghrane, A.; Darkaoui, E.; Abbassi, A.; Manaut, B.; Taj, S.; Driouich, M.

  • 🟠 First-principles examination of structural, electronic, magnetic, and optical properties of a free lead scintillating double perovskites A₂NaTaX₆ (A=Cs, Rb; X=Cl, Br, I)
    📖 Optical and Quantum Electronics (2024)
    🔗 DOI: 10.1007/s11082-024-06804-x
    ✍️ Contributors: Ouhenou, H.; Zaghrane, A.; Darkaoui, E.; Agouri, M.; Waqdim, A.; Abbassi, A.; Taj, S.; Manaut, B.; Idrissi, M.E.; Driouich, M.

  • 🟣 First-principles investigation of MXenes M₄C₃ (M=Sc, Cr, and Mn) for clean energy
    📖 Chinese Journal of Physics (2024)
    🔗 DOI: 10.1016/j.cjph.2024.03.041
    ✍️ Contributors: Darkaoui, E.; Zaghrane, A.; Ouhenou, H.; Abbassi, A.; Agouri, M.; Waqdim, A.; Makayssi, T.; Taj, S.; Manaut, B.; Driouich, M.

  • 🟤 First-principles investigation of structural, electronic, optical, and magnetic properties of a scintillating double perovskite halides (Cs₂LiCeX₆) with (X = F, Br, and I)
    📖 Chinese Journal of Physics (2024)
    🔗 DOI: 10.1016/j.cjph.2023.08.001
    ✍️ Contributors: Zaghrane, A.; Ouhenou, H.; Darkaoui, E.; Agouri, M.; Abbassi, A.; Mekaoui, Y.; Taj, S.; Manaut, B.

  • ⚫ Tau decay in a circularly polarized laser field
    📖 Indian Journal of Physics (2024)
    🔗 DOI: 10.1007/s12648-024-03143-1
    ✍️ Contributors: Chahri, R.; Mouslih, S.; Jakha, M.; Darkaoui, E.; Mekaoui, Y.; Manaut, B.; Taj, S.

  • ⚪ First-Principles Examination of Structural, Electronic, Magnetic, and Optical Properties of a Free Lead Scintillating Double Perovskites A₂NaTaX₆ (A = Cs, Rb; X = Cl, Br, I)
    📖 SSRN (2023)
    🔗 DOI: 10.2139/ssrn.4639290
    ✍️ Contributors: Ouhenou, H.; Zaghrane, A.; Darkaoui, E.; Agouri, M.; Waqdim, A.; Abbassi, A.; Taj, S.; Manaut, B.; El Idrissi, M.; Driouich, M.