Mohamed ZANOUNI - Academia.edu (original) (raw)

Mohamed ZANOUNI

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Papers by Mohamed ZANOUNI

Computational Condensed Matter, Mar 1, 2022

International Journal of Quantum Chemistry, 2022

Journal of Superconductivity and Novel Magnetism, 2022

Computational Condensed Matter, 2022

Les memoires flash non volatiles - utilisees dans les ordinateurs, les telephones portables ou le... more Les memoires flash non volatiles - utilisees dans les ordinateurs, les telephones portables ou les cles USB - peuvent etre constituees de nanostructures semiconductrices (SC) ou metalliques inserees dans une matrice isolante. Elles necessitent l’elaboration d’heterostructures de type "oxyde/metal/oxyde/SC" et la maitrise de chaque interface. Dans ce cadre, nous avons etudie les premiers stades de la croissance de nanostructures de Fer elaborees par epitaxie par jet moleculaire (EJM) sur les substrats d’oxyde (high-k) cristallins LaAlO3(001) et LaAlO3(111). Les proprietes chimiques et structurales ont ete determinees, in-situ, par spectroscopie de photoelectrons X (XPS), diffraction de photoelectrons X (XPD) et diffraction d’electrons (RHEED et LEED) puis ex-situ par microscopie electronique en transmission (TEM). Une etude par simulation des profils XPD, basee sur la theorie de la diffusion multiple, a ete menee a l’aide du programme de calcul Ms-Spec. L’etude de la croiss...

Physica E: Low-dimensional Systems and Nanostructures, 2021

FlatChem, 2021

Abstract Energy storage technologies in electric vehicles and electronic devices have generated a... more Abstract Energy storage technologies in electric vehicles and electronic devices have generated an urgent need for alternative rechargeable batteries such as lithium-ion batteries (LIBs). The cost and limited resources of lithium in the earth's crust may be hindered by the LIBs applications. Due to abundant sodium resources and their similar electrochemical mechanisms, sodium-ion batteries (SIBs) are considered a potential alternative to lithium-ion batteries for large-scale renewable energy storage applications. Herein, based on first-principles density functional theory (DFT), the properties of Na atoms adsorbed on a bismuthene monolayer (ML) have been investigated. Our results exhibited the V site is the optimal adsorption position of Na atoms on ML-Bi with a negative adsorption energy of -1.55 eV and a significant charge transfer. As the adsorption energy of Na increases, the crystal structure of bismuthene tends to be changed significantly and reveals a tendency to form alloys. Also, semiconductor-to-conductor transitions have been observed. Of interest, the diffusion barrier of Na atoms in the NaxBi monolayer system was found to be very low (0.18 eV). This latter would facilitate the insertion/extraction of ions into the electrode material and improves the rate of charge and discharge. These predicted findings can pave the way for experimental studies leading to strong decision-making in the development of battery technology.

Journal of Physics: Condensed Matter, 2020

Silicene and germanene freestanding layers are usually described as a honeycomb lattice formed by... more Silicene and germanene freestanding layers are usually described as a honeycomb lattice formed by two hexagonal sub-lattices presenting a height difference, namely the layer buckling. In this work, first-principles calculations show that silicene and germanene can be rippled at 0K with various wavelengths, without any compressive strain of the layer. For germanene, the height difference between two Ge atoms from the same sub-lattice can be as high as 4.7 Å for an undulation length of 81 Å. The deformations are related to slight (lower than 1.7°) bond angle modifications, and the energy cost is remarkably low, lying between 0.1 and 0.8 meV per atom. These undulations modify the electronic structure, opening a gap of 15 meV.