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Omar Bajjou
Affiliation : Université Sultan Moulay Slimane
- 114Publications (affiliation in Morocco)
- 132Total publications
- 1651Citations
- 21h-index
Research profile
Omar Bajjou has 114 indexed publications (2021–2026). Their work appears mainly in “International Conference on Innovative Research in Applied Science, Engineering and Technology (IRASET)”, “E3S Web of Conferences” and “Journal of Molecular Modeling”. Their most cited article, “Numerical simulation of a new heterostructure CIGS/GaSe solar cell system using SCAPS-1D software” (2021), has been cited 168 times. 66 of these publications date from the last three years of activity. Their work is co-authored with at least 12 researchers, including institutions in France, South Africa.
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Create my free profile Add my publicationsResearch areas
- Perovskite Materials and Applications
- 2D Materials and Applications
- Machine Learning in Materials Science
- Graphene research and applications
- Advanced Photocatalysis Techniques
Publications (114)
- Novel Insights into the Electric Field-Driven Electronic and Optical Behavior of K2AgSbI6 via DFT
- Halide-driven tuning of structural, electronic, and optical properties in lead-free K2AgSbX6 (X = I, Br, Cl) double perovskites: a DFT study
- Tuning optoelectronic properties in BaNaH3X (X = Ni, Pd, Pt) perovskite hydrides: a DFT-based analysis
- Hydrogen Storage and Energy Applications of H6X2N3Na (X = K; Rb): AIMD and First-Principles Study Approach
- Structural, mechanical, electronic, and optoelectronic properties of wide-band-gap hydride perovskite BaNaH3Pt from hybrid density functional theory
- Coupled Effects of Cooling Rate and Composition on the Mechanical Response of Fe–Ni Metallic Glasses: Insights from Molecular Dynamics
- First-principles investigation of structural, mechanical, electronic, optical, and thermodynamic properties of perovskite hydrides XRuH3 (X=Mg, Ca, Sr, Ba) for hydrogen storage
- Structural, Electronic, Optical, and Mechanical properties of BaTiO₃ Under Pressure: Using Fitting Tools to Create Predictive Functions for Mechanical Properties in Photovoltaic and 3D Printing Applications
- DFT study of optoelectronic properties in pristine and Ba-doped SrH2 for enhanced energy storage and photonic applications
- Photocatalytic Potential of Double Perovskite Hydrides Cs2CaCdH6 and Rb2CaCdH6: A Continuation of a DFT-Based Study
- A-site cation engineering in lead-free halide double perovskites A2AgSbBr6 (A = Na, K, Rb): a comprehensive first-principles study
- DFT investigation of lead-free double perovskites K2AgMBr6 (M = P, In, Sb and Bi): Mechanical stability and photocatalytic potential for sustainable applications
- Atomistic insights into coupled thermodynamic–kinetic effects on the structural evolution, fragility, and mechanical response of silver metallic glass
- DFT and SCAPS-1D investigation of RbGeI 3 /MoTe 2 VdW heterostructure for enhanced electronic, optical, and photovoltaic performance in perovskite solar cells
- Tailoring the optoelectronic and photocatalytic properties of MgH2 through Sr and Ca doping for sustainable energy technologies
- Lithium-Based Hydride Perovskites: Computational Investigation on Material Properties for Hydrogen Storage Applications
- Structural evolution and mechanical characteristics of metallic glasses CuZr binary: a molecular dynamics study
- DFT-based analysis of the effects of porphin substitution on the electronic and optical properties of C60 fullerene
- Tuning the optoelectronic properties of MASnI3 perovskite via Br and Cl doping and Br/Cl co-doping: a first principles DFT study
- A comparative ab initio analysis of the stability, electronic, thermodynamic, mechanical, and hydrogen storage properties of SrZnH3 and SrLiH3 perovskite hydrides through DFT and AIMD Approaches
- Investigation of structural, phonon, thermodynamic, electronic, and mechanical properties of non-toxic XZnH3 (X = Li, Na, K) perovskites for solid-state hydrogen storage: A DFT and AIMD approach
- DFT study on K2AgSbI6: Exploring the electronic, optical, and elastic properties of a double perovskite
- Theoretical DFT insights into the stability, electronic, mechanical, optical, thermodynamic, and hydrogen storage properties of RbXH3 (X = Si, Ge, Sn) Perovskite Hydrides
- Theoretical study of the Sb-substitution effect on the optoelectronic properties of Cs2AgBiBr6 double perovskite
- Comparative DFT Study of K2AgSbBr6 and K2NaScBr6: Exploring the Role of B′B″ Cation Substitution on Material Properties
- Photocatalytic Properties of XH2 (X = Ca, Ba, Mg, and Sr): Unlocking Potential for Sustainable Energy and Environmental Applications
- Design and simulation of an organic–inorganic GO/P3HT/MASnI3 solar cell using the SCAPS-1D program
- Electronic and Optical Properties of Cl-doped CH 3 NH 3 SnI 3 Perovskite: A DFT Study
- First-principles study of co-doped wurtzite ZnO: insights into carrier dynamics, visible light absorption, and structural properties for solar cell applications
- Influence of cooling rate and pressure on the structural and mechanical properties of iron monatomic metallic glasses: Insights from molecular dynamics simulations
- DFT-based investigation of Ca 2 H 3 Br and Ba 2 H 3 I: electronic, optical, and hydrogen storage properties for energy applications
- Transformation of BaTiO3 electro-optical properties through graphene oxide integration for high-performance photovoltaic applications
- Theoretical Insights into the Stability, Electronic, Optical, and Thermoelectric Properties of Inorganic Lead-Free $$\text{AZnX}_{3}$$ (A = K, Rb; X = Cl, Br) Halides Perovskites for Solar Cell Applications
- First-principles comparative analysis of the physical properties of K2AgMBr6 (M = Sb, Bi, P, In) perovskites: Promising candidates for clean energy applications
- Structural, electronic, and optical studies of chalcogenides kesterite Ag2BeSnX4 (X = S, Se, and Te): insights from the DFT study
- Investigation of the structural evolution and its impact on the mechanical and thermal properties of zirconium metallic glass under various quenching and strain rate conditions: A molecular dynamics approach
- Phytoremediation of hexavalent chromium by absinthe: experimental approach and computational modeling of the transfer and production of some secondary metabolites
- Beyond current limits: a simulation study of 31.02% efficient tandem photovoltaics with novel oriented CsPbI3 and Ag2BeSnSe4
- Simulation and analysis of ZnO/SWCNT solar cell using the SCAPS-1D program
- First-Principles Study of Ge-Doped CH₃NH₃PbI₃ Perovskite:
- Theoretical and computational study of tannin adsorption on wood surface particularly on ꞵ-cellulose
- Optoelectronic properties of porphine-functionalized carbon nanotubes: DFT exploration
- Optoelectronic properties of BaNaH3Pt hydride perovskite from hybrid DFT
- Investigation of lead-free halide K2AgSbBr6 double Perovskite's structural, electronic, and optical properties using DFT functionals
- Investigating the structural, electronic, and optical properties of the novel double perovskite K2AgBiI6 using DFT
- The effect of doping/dual-doping with nitrogen and silicon on the structural, electronic, and optical properties of graphene: first-principles study
- Electronic and Optical Properties of Double Perovskite Oxide LaFeWO6: A Theoretical Understanding from DFT Calculations
- Impact of Calcium Doping on the Electronic and Optical Characteristics of Strontium Hydride (SrH2): A DFT Study
- Enhancing the Optoelectronic Properties of TiPbO3 perovskite through Lanthanum Doping
- Mechanical and structural properties of monatomic zirconium metallic glass under pressure variations and annealing processes: A molecular dynamics study
- Efficiency enhancement of novel ITO/ZnSe/CNTs thin film solar cell
- Investigation, using DFT, of adsorption of biomarker volatiles by fullerene and hetero-fullerene and possibility of biosensing of liver cirrhosis
- Exploring structural and dynamic characteristics of supercooled liquid silver under varying hydrostatic pressures: A molecular dynamics investigation
- Structural, electronic, and optical studies of chalcogenides stannite Cu2CdSnX4 (X=S, Se, and Te): insights from the DFT study
- High-efficiency numerical modeling of rGO/P3HT solar cells using SCAPS-1D
- Electronic and optical properties of C60 under the influence of alkali metal injection: A DFT study
- Structural, morphological and optical properties of the La2W2O9/Fe2O3 composite for UV-shielding applications
- Structural behavior of copper monatomic metallic glass under various cooling conditions investigated by molecular dynamics simulations
- Tailoring morphological, elastic, and thermodynamic properties of Ag2BeSnX4 (X = S, Se, Te) kesterites: a computational approach
- Structural properties and vibrational modes of different polytypes of gallium selenide crystals (ε, β, γ, δ): insights from a DFT study
- A theoretical approach on using the electric field to control the band structures and optical properties of fullerene
- Lead-free (K0.5Na0.5)NbO3 co-substituted with Ta5+ and Er3+: Structural, optical, dielectric and electrical properties
- Modulating the optoelectronic characteristics of ZnS through transition metals doping: insights from density functional theory
- Numerical analysis of Bragg reflection spectra of GaAs/AlGaAs super-layers depending on hydrostatic pressure
- Temperature dependence analysis of intersubband absorption in asymmetric ZnO/MgZnO quantum wells: Potential for terahertz emission applications
- Quantum confinement in GaN/AlInN asymmetric quantum wells for terahertz emission and field of optical fiber telecommunications
- Experimental and numerical study of the CIGS/CdS heterojunction solar cell
- Ag2BeSnX4(S, Se,Te)-based kesterite solar cell modeling: A D F T investigation and S c a p s - 1 d analysis
- Effects of cooling rate on the glass formation process and the microstructural evolution of Silver mono-component metallic glass
- Exploring the impact of cooling rates and pressure on fragility and structural transformations in iron monatomic metallic glasses: Insights from molecular dynamics simulations
- Modeling of Highly Efficient Lead-Free MASnI3-Based Solar Cell with Graphene Oxide as Hole Transport Layer Using SCAPS-1D
- Novel Simulation and Efficiency Enhancement of Eco-friendly Cu2FeSnS4/c-Silicon Tandem Solar Device
- Ab Initio Investigation for Solar Technology on the Optical and Electronic Properties of Double Perovskites Cs 2 AgBiX 6 (X=Cl, Br, I)
- Performance assessment of an eco-friendly tandem solar cell based on double perovskite Cs2AgBiBr6
- Numerical computing of CdTe-based solar cells with graphene oxide buffer layers using SCAPS-1D software
- Increasing Electro-Optical Properties of Perovskite FAPbI 3 Under the Effect of Doping by Sn
- Electronic and optical properties of SWCNTs and spin-orbit coupling effect on their electronic structures: First-principle computing
- A fundamental study on the electronic and optical properties of graphene oxide under an external electric field
- DFT investigation on the electronic and optical properties of Br-doped CH3NH3SnI3 perovskite
- Electronic and optical properties of different concentrations of Ga doped ZnO: CASTEP study
- Numerical Simulation of FAPbI3 perovskite based solar cells with graphene oxide as hole transport layer using SCAPS-1D
- Microstructural and mechanical behaviors of Nickel pure metallic glass investigated by molecular dynamics simulations
- Theoretical investigations on the electronic and optical properties of Na-doped CH3NH3PbI3 perovskite
- Influence of chromium addition and cooling rate on Kinetic and microstructural evolution in FexCr100-x Metallic Glasses
- Effects of lithium intercalation on the electronic and optical properties of graphene: Density Functional Theory (DFT) computing
- Simulation study of the novel Ag2MgSn(S/Se)4 chalcogenide tandem solar device employing monolithically integrated (2T) configurations
- Numerical simulation of the NiO as hole transport layer in CH 3 NH 3 PbBr 3 perovskite based-solar cell using SCAPS-1D
- First-principles study on electronic and optical properties of single-walled carbon nanotube under an external electric field
- Structural, electronic, and elastic properties of different polytypes of GaSe lamellar materials under compressive stress: insights from a DFT study
- The study of electronic and optical properties of perovskites CH 3 NH 3 PbCl 3 and CH 3 NH 3 PbBr 3 using first-principle
- DFT study on electronic and optical properties of graphene under an external electric field
- First-principles calculations to investigate the influence of porphyrin substitution on the structural, electronic and optical properties of graphene oxide
- Modeling and simulation of a solar cell based on CIGS/CdS/ZnO
- Numerical Simulation of CdS/GaSe Solar Cell Using SCAPs Simulation Software
- Improvement of intersubband absorption in asymmetric quantum wells based on GaN/AlInN
- DFT study of the effect of injecting Lithium atom on electronic and optical properties of the C60
- Density Functional Theory Study on the Electronic and Optical Properties of Graphene, Single-Walled Carbon Nanotube and C60
- Numerical simulation of a new heterostructure CIGS/GaSe solar cell system using SCAPS-1D software
- First-principles calculation of the structural, electronic and optical properties of GaSe_(1-x) S_(x) (x = 0, 0.25, 0.5 and 1) compounds
- Study on Electronic and Optical Properties of Graphene Oxide Under an External Electric Field From First-principles
Publication venues
- International Conference on Innovative Research in Applied Science, Engineering and Technology (IRASET) × 9
- E3S Web of Conferences × 8
- Journal of Molecular Modeling × 5
- Solid State Communications × 4
- Journal of Nanoparticle Research × 4
- Journal of Electronic Materials × 3
Publications per year
- 202619
- 202524
- 202423
- 202319
- 202212
- 20213
Collaborations
Partner institutions : Mohammed V University · University of Hassan II Casablanca · Sidi Mohamed Ben Abdellah University · Université Ibn Zohr · Université Hassan II Mohammedia
Co-authors’ countries : France · South Africa
Co-authors
- Khalid Rahmani
- Youssef Lachtioui
- Abdelhafid Najim
- Mohamed Al-Hattab
- Mohamed Karouchi
- Lhouceine Moulaoui
- Abdelmounaim Laassouli
- Abdelkebir Ejjabli
- Anass Bakour
- Younes Chrafih
- Hamza Errahoui
- Lhoucine Moudou
Bibliographic data from OpenAlex (open database).
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