Search Results - "Marjaoui, Adil"
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Two-dimensional AsP3 monolayer as an efficient anode material for Li-Ion batteries: a theoretical perspective
Published in Applied physics. A, Materials science & processing (2024)“…Enhancing the rate performance of lithium-ion batteries (LIBs) is crucial to developing electronic devices. In light of the growing demand for consumer…”
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A DFT study of electronic, optical and thermoelectric properties of Ge-halide perovskites CsGeX3 (X=F, Cl and Br)
Published in Computational Condensed Matter (01-06-2022)“…In this paper, the structural, electronic, optical and thermoelectric properties of the inorganic Ge-based halide perovskites CsGeX3 (X = F, Cl; Br) have been…”
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Semiconducting-metallic phase transition with tunable optoelectronics and mechanical properties of halide perovskites TlGeX3 (X = F, Cl) under pressure
Published in Journal of materials science. Materials in electronics (01-12-2023)“…We explored the mechanical, elastic, electronic, and optical properties of the thallium-based perovskite of TlGeX 3 (X = F, Cl) using first-principles…”
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Theoretical investigation of Rb2AuBiX6 (X=Br, cl, F) double perovskite for thermoelectric and optoelectronic applications
Published in The Journal of physics and chemistry of solids (01-05-2024)“…The double perovskites are now being looked at as a possible way to meet the energy needs. Therefore, in this study, the structural, optoelectronic, and…”
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Electronic structure, optical and thermoelectric properties of Ge2SeS monolayer via first-principles study
Published in Physica. E, Low-dimensional systems & nanostructures (01-02-2022)“…The electronic, optical and thermoelectric properties of the Ge2SeS monolayer were detailed using the first-principle calculations. The dynamic stability of…”
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First-principles calculations to investigate structural, electronic and optical properties of Janus AsMC3 (M: Sb, Bi) monolayers for optoelectronic applications
Published in Solid state communications (15-02-2022)“…Janus monolayers as novel 2D materials have attracted considerable attention owing to their excellent properties. In this present study, first-principles…”
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Investigation of the magnetoelectric properties of Bi0.9La0.1Fe0.9Mn0.1O3/La0.8Sr0.2MnO3 bilayer: Monte Carlo simulation
Published in Physica. B, Condensed matter (15-10-2023)“…In the present work, the magnetic, ferroelectric and magnetoelectric properties of the bilayer composite Bi0.9La0.1Fe0.9Mn0.1O3/La0.8Sr0.2MnO3 (BFO-LM/LSMO)…”
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First-principles calculations of electronic, optical and thermoelectric properties of the Ge2SeS/GeSe van der Waals heterostructure
Published in Physica. E, Low-dimensional systems & nanostructures (01-08-2024)“…In this research, we systematically investigate the electronic structure, optical and thermoelectric properties of the Ge2SeS/GeSe van der Waals (vdW)…”
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A First-Principles Investigation on Electronic Structure, Optical and Thermoelectric Properties of Janus In2SeTe Monolayer
Published in Journal of superconductivity and novel magnetism (01-12-2021)“…The Janus two-dimensional (2D) materials have recently demonstrated excellent physical and chemical properties. The electronic, thermoelectric, and optical…”
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Strain Engineering of the Electronic and Optical Properties of Predicted Janus CaFBr Monolayer for Potential Use in Optoelectronic Devices: A Density Functional Theory Study
Published in physica status solidi (b) (01-10-2023)“…Herein, the biaxial strain effect is investigated on the structural, electronic, and optical properties of 1T and 1H phases of Janus CaFBr monolayer in the…”
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Strain enhanced electronic and optical properties in Janus monolayers AsMC3 (M: Sb, Bi)
Published in Physica. B, Condensed matter (01-10-2022)Get full text
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Theoretical prediction of SbP3 monolayer as anode material for lithium-ion battery applications
Published in Chemical physics letters (16-08-2024)“…[Display omitted] •The feasibility of SbP3 monolayer was studied for Li-ion batteries.•SbP3 monolayer has a quite low diffusion barrier of 0.44 eV.•The…”
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Elastic, electronic, magnetic and magnetocaloric properties of janus MnXO (X=S, Se and Te) monolayers: First-principles and Monte Carlo investigations
Published in Physica. B, Condensed matter (15-08-2024)“…In this work, we present the first theoretical analysis of the elastic, electronic, magnetic and magnetocaloric properties of 1T-phase Janus MnXO (X = S, Se…”
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Electronic and optical properties of As/Bi2Se3 van der Waals heterostructure: Ab initio insights
Published in Materials science in semiconductor processing (01-10-2024)“…In this study, based on the first-principles calculations, we theoretically studied the electronic and optical properties of two dimensional (2D) As/Bi2Se3 van…”
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The electronic, thermoelectric and optical properties of Janus In2STe monolayer: A first-principles investigation
Published in Thin solid films (01-10-2022)“…•First-principles insights into Janus In2STe monolayer.•The Janus In2STe monolayer is a semiconductor with a direct bandgap of 0.81 eV.•The Janus In2STe…”
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High thermoelectric figure of merit for GeS/phosphorene 2D heterostructures: A first-principles study
Published in Materials science & engineering. B, Solid-state materials for advanced technology (01-07-2022)“…•First-principles calculations combined with the semi-classical Boltzmann transport theory on electronic structure and thermoelectric properties of…”
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Electronic, Magnetic, and Ferroelectric Properties of Bi0.9La0.1Fe0.9Mn0.1O3/La0.8Sr0.2MnO3: Experimental and First-Principles Calculations Studies
Published in Journal of electronic materials (01-02-2024)“…We focus on the electronic, magnetic, and ferroelectric properties of the bilayer composite, Bi 0.9 La 0.1 Fe 0.9 Mn 0.1 O 3 /La 0.8 Sr 0.2 MnO 3…”
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Strain effects on the structural, electronic, optical and thermoelectric properties of Si 2 SeS monolayer with puckered honeycomb structure: A first‐principles study
Published in International journal of quantum chemistry (05-07-2022)“…In this paper, the first‐principles calculations based on the Density Functional Theory (DFT) have been used to study the effect of strain on the structural,…”
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First-principles investigations of structural, electronic and optical properties of janus GaXY (X/YS, Se, Te)/GeAs van der Waals heterostructures for photovoltaic applications
Published in Physica. B, Condensed matter (01-04-2024)“…In this study, the investigation of the structural, electronic and optical properties of Janus monolayers GaXY (X/YS, Se, Te)/GeAs van der Waals (vdW)…”
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Strain effects on the structural, electronic, optical and thermoelectric properties of Si2SeS monolayer with puckered honeycomb structure: A first‐principles study
Published in International journal of quantum chemistry (05-07-2022)“…In this paper, the first‐principles calculations based on the Density Functional Theory (DFT) have been used to study the effect of strain on the structural,…”
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