Houda Jebari- Doctor
- PostDoc Position at Mohammed VI Polytechnic University
Houda Jebari
- Doctor
- PostDoc Position at Mohammed VI Polytechnic University
Postdoctoral Researcher
About
20
Publications
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Introduction
Houda JEBARI, Doctor in Materials Sciences (Physics) from the Laboratory of Condensed Matter and Interdisciplinary Sciences (LaMCScI) at Mohammed V University of Rabat – Morocco. My research activities cover experimental studies and theoretical calculations based on DFT and MCd, to study the physicochemical properties of 3 D & 2D materials for photovoltaic, optoelectronic devices, magnetic, photocatalysis, magnetocaloric, and magnetodielectric applications.
Current institution
Additional affiliations
April 2024 - present
Publications
Publications (20)
The electronic, magnetic and magnetocaloric properties of the Iron-Selenite Bi25FeO40 compound have been investigated using first-principles calculations and Monte Carlo simulations (MCs). It was found that Bi25FeO40 is a p-type semiconductor with an indirect bandgap of about 2.16 eV which is in good agreement with the previous experimental and the...
To identify effective hydrogen storage materials, a novel study employing first-principles calculations based on density functional theory DFT on the lithium-based double perovskite hydride Li2BeMgH6. This material, with its innovative and significant attributes, emerges as a potential candidate for hydrogen storage, inspiring experimental research...
This study employs density functional theory (DFT) with the Quantum Espresso code to investigate how variations in layer number influence MoS₂ properties relevant to photocatalytic hydrogen production from water splitting. Our results show that as the number of layers increases, the formation energy decreases from −0.882 eV/atom for the monolayer t...
This research delves into the influence of hydrostatic pressure on the structural, electronic, and optical characteristics of the cubic halide perovskite KSrCl3. The reduction in interatomic distance caused by pressure has a considerable effect on the unit cell volume and lattice constant of this perovskite. As pressure increases, the electronic ba...
Materials science is crucially involved in researching advanced materials for energy conversion and storage. The discovery process has been accelerated by computational simulations, which have become a powerful tool for predicting the properties of new materials in recent years. This study examines the structural, electronic, and optical properties...
Novel Sillenites Bi25Fe(1−x)AlxO40 (x = 0.00, 0.20, and x = 0.50) have been synthesized using the SSR method. In this paper, the effect of Al-substitution on the physicochemical properties was performed. The X-ray diffraction analysis as well as both Raman and FT-IR spectroscopies indicate that all the elaborated materials have a bcc structure with...
The structural, electronic, optical, transport and photocatalytic properties of the 2D-MoS2 compound are investigated by the density functional theory approach. The results revealed that applying the tensile effect can significantly impact the material’s properties. MoS2 is a p-type semiconductor with a bandgap energy of 1.66, 1.66, and 2.36 eV alo...
The electro-optical and thermoelectric properties of the Ag2MnGeS4_Kesterite were investigated via the density functional theory DFT. N-type direct semiconductor in the Г point with a value of 1.44 eV was observed through the calculated bandgap structure. The N-type semiconductor was proved by the negative sign of the Seebeck coefficient. High abso...
This work aims to study the doping effect of B, Al, and Bi elements on the electronic distribution of CuSbSe2 compounds. The structural and electronic properties of Cu(1-x)AxSbSe2 and CuSb(1-y)XySe2 (A = B and Al, X = Al and Bi) were investigated by GGA-PBE and GGA-PBE + SIC approximations. Where x and y take values of 0%, 3%, 5%, 7%, and 10%. The...
The influence of poly(o-toluidine) (POT) interlayer as a hole transporting layer (HTL) and
iodine doping on electrical properties of hybrid solar cells based on a mixture of didecylsexithiophène
(2D6T) and nanostructured zinc oxide as blend donor/acceptor active layer
have been investigated. The sexithiophene 2D6T were synthesized by a chemical rou...
The material (N2H5)2SiF6 was reinvestigated by XRD, IR, and Raman spectroscopy. It crystallizes in the monoclinic space group P21/n (Z=2). The characteristic bands in FT-IR (450-4000) cm-1 and FT-Raman (50-3500) cm-1 spectra were interpreted using factor group analysis considering the D2 factor group, in which SiF62- anions and N2H5+ cations occupi...
A comparative study of the structural and electronic properties of the orthorhombic and cubic structure of EuCrO3 has been performed in this manuscript. The stability of the orthorhombic structure with respect to the cubic one has been studied. The calculated optical band gap energies were determined to be 2.09 eV, 1.95 eV and 2.02 eV along the [10...
![Crystalline structure of γ-Bi25FeO40 [1, 11, 15]](publication/363162154/figure/fig2/AS:11431281091458533@1666490173494/Crystalline-structure-of-g-Bi25FeO40-1-11-15_Q320.jpg)
The iron-sillenite Bi25FeO40 has been synthesized using the solid-state reaction route. The elaborated material crystallizes in a cubic structure. The studied material exhibits an anomaly, noticed via the DSC analysis and dielectric measurements at 671 K. This anomaly can be attributed to the occurrence of a thermally activated relaxation in the Bi...
The electronic, optical, photocatalytic, and thermoelectric properties of inorganic halide cubic perovskite AGeI2Br (A = K, Rb, Cs) are investigated using the density functional theory, in order to use these compounds in different fields. The aim of our investigation is to bring a prediction of the free lead halide mixed compound which is still not...
