Accueil › Annuaire des chercheurs › Sébastien Lebègue∥
Sébastien Lebègue∥
Affiliation : Centre National de la Recherche Scientifique · Laboratoire Énergies & Mécanique Théorique et Appliquée · Université de Lorraine
- 39Publications (affiliation française)
- 353Publications au total
- 13443Citations
- 52Indice h
Profil de recherche
Sébastien Lebègue∥ compte 39 publications référencées (2011–2026). Ses travaux paraissent principalement dans « The Journal of Chemical Physics », « Computational Condensed Matter » et « Surface Science ». Son article le plus cité, « Structural, electronic and optical properties of cubic SrTiO3 and KTaO3: Ab initio and GW calculations » (2012), a été cité 87 fois. 8 de ces publications datent des trois dernières années d’activité. Ses travaux sont cosignés avec au moins 12 chercheurs, notamment dans des établissements de Tunisie, Maroc, Arabie saoudite.
C’est vous ? Faites connaître vos travaux
Créez gratuitement votre profil DzCademia et ajoutez vos articles : ils apparaîtront plus facilement sur Google et dans les assistants d’IA comme ChatGPT. Plus de personnes pourront vous lire et vous citer.
Créer mon profil gratuit Ajouter mes publicationsDomaines de recherche
- Advanced Chemical Physics Studies
- Crystal Structures and Properties
- Crystallography and molecular interactions
- Crystal structures of chemical compounds
- Inorganic Chemistry and Materials
Publications (39)
- Adsorption and sensing properties of volatile organic compound markers on Ti 2 CO 2 nanosheet decorated with Mn and Ru magnetic single atoms: a DFT perspective
- First principles study of nitrogen substitution effects on electronic and optical properties of acene-based organic semiconductors
- Synergistic Effects of Phosphorus Doping and Oxygen Vacancies on Formaldehyde Oxidation over CeO$_2$(111): A First Principles Investigation
- Effects of neutral point defects on the electronic and magnetic properties in Penta-CoS 2 monolayer
- Exploring the electronic and optical properties of anthraquinone derivatives for photovoltaic applications: A computational study
- A first-principles and Monte Carlo study of a 2D cerium-based ferromagnetic semiconductor
- An ab initio study of the electronic and optical properties of DNT-V, DNBDT-N, and TBBT-V derivatives
- Exploring the potential of 2D α-SiC7 monolayer as an anode material for Li-ion batteries: Ab initio investigation
- Insight into the effect of alloying on the adsorption of benzene on Ag(100) surface: DFT calculations
- First-principles study of the structural and electronic properties of tetragonal ZrOX (X = S, Se, and Te) monolayers and their vdW heterostructures for applications in optoelectronics and photocatalysis
- Predicting Novel 2D AsBiX3 (X = S, Se, and Te) Auxetic Monolayers with Favorable Optical and Photocatalytic Water-Splitting Properties
- Tuning the electronic and optical properties of small organic acenedithiophene molecular crystals for photovoltaic applications: First principles calculations
- First‐Principles Modeling of the Adsorption Mechanism of Carboxylic and Phosphonic Acids onto Pristine and Defective Delafossite CuAlO2 Surfaces
- Growth and annealing effect on the Cu thin film deposited on Si (0 0 1) surface
- A density functional theory study of thiophene and pyridine adsorption on Pt/Rh-doped Cu (100) surface
- Potential of nickel nanoclusters supported on α -Al 2 O 3 (0001) surface for CO 2 capture, energy production, and dry reforming of methane
- Ab initio investigations of a CoBiS monolayer with and without point defects
- Stacking effect on electronic properties of InSe/blue phosphorene and GaSe/blue phosphorene heterostructures from first-principles
- First Principles Calculations of Getchellite AsSbS3 in Bulk and Monolayer Structures
- First-Principles Study of Monolayer p e n t a - Co S 2 as a Promising Anode Material for Li / Na -ion Batteries
- Two dimensional h-BSb mono-layer as a promising anode material for lithium-ion batteries studied from ab initio simulations
- Beneficial effect of Au and Pt doping of the Ag-(100) surface for thiophene and pyridine adsorption from density functional theory calculations
- Electronic structure of 2D quaternary materials and of their van der Waals heterostructures
- First Principles Electro Optical Characterization of Semiconductors Perovskites
- An ab initio study of the electronic properties of the ferroelectric heterostructure In2Se3/Bi2Se3
- Elastic and mechanical properties of cubic diamond and silicon using density functional theory and the random phase approximation
- Tuning the magnetic and electronic properties of monolayer chromium tritelluride through strain engineering
- Effect of halogenation on the optical and electronic properties of tetrathienoanthracene and tetrathionoacridine derivatives: A DFT study
- Electronic properties of several two dimensional halides from ab initio calculations
- An ab initio study of the ferroelectric In2Se3/graphene heterostructure
- Controlling the stability and the electronic structure of transition metal dichalcogenide single layer under chemical doping
- Adsorption and diffusion of Pt, Cu, Ag and Au on missing row reconstructed Pt(110) surfaces: An ab initio investigation
- Thermodynamic and structural properties of binary calcium silicate glasses: insights from molecular dynamics
- An ab initio study of the electronic structure of indium and gallium chalcogenide bilayers
- A first principle study of graphene functionalized with hydroxyl, nitrile, or methyl groups
- First principles study of the crystal, electronic structure, and diffusion mechanism of polaron-Na vacancy of Na 3 MnPO 4 CO 3 for Na-ion battery applications
- Crystal and electronic structures of nitridophosphate compounds as cathode materials for Na-ion batteries
- Structural, electronic and optical properties of cubic SrTiO3 and KTaO3: Ab initio and GW calculations
- Electron and Electrostatic Properties of Three Crystal Forms of Piracetam
Revues de publication
- The Journal of Chemical Physics × 4
- Computational Condensed Matter × 3
- Surface Science × 3
- Journal of Physics D Applied Physics × 2
- Physica Scripta × 2
- Journal of Applied Physics × 2
Publications par année
- 20263
- 20254
- 20241
- 20235
- 20226
- 20215
- 20204
- 20194
- 20173
- 20161
Collaborations
Établissements partenaires : Laboratoire de Physique et Chimie Théoriques · University of Monastir · Laboratoire de Cristallographie, Résonance Magnétique et Modélisations · Qassim University · Laboratoire de Chimie et Physique - Approche Multi-échelle des Milieux Complexes
Pays des co-auteurs : Tunisie · Maroc · Arabie saoudite
Co-auteurs
- Michaël Badawi
- Saber Gueddida∥
- Tarek Ayadi
- Dario Rocca
- Lamjed Debbichi
- Fabien Pascale
- Ayoub Nassour
- Mohamed Yassine Fatihi
- M. Malki
- Yann Vaills
- Jean‐Michel Gillet
- Mariachiara Pastore
Données bibliographiques issues d’OpenAlex (base ouverte).
Pourquoi choisir Dzcademia ?
Pour donner à vos travaux plus de chances d’être découverts et recommandés par les IA. Profils, articles et communications : donnez à votre recherche une présence publique structurée. Les métadonnées intégrées aident les moteurs de recherche et les assistants IA à identifier vos travaux et à comprendre leurs références.
Commenter avec Google
Connecte-toi avec Google pour commenter directement sur cette page.