الرئيسية › دليل الباحثين › Sébastien Lebègue∥
Sébastien Lebègue∥
الانتماء : Centre National de la Recherche Scientifique · Laboratoire Énergies & Mécanique Théorique et Appliquée · Université de Lorraine
- 39منشورات (انتماء فرنسي)
- 353مجموع المنشورات
- 13443الاستشهادات
- 52مؤشر h
الملف البحثي
لدى Sébastien Lebègue∥ 39 منشور(ات) مفهرسة (2011–2026). تُنشر أعماله أساسًا في «The Journal of Chemical Physics»، «Computational Condensed Matter» و«Surface Science». أكثر مقالاته استشهادًا هو «Structural, electronic and optical properties of cubic SrTiO3 and KTaO3: Ab initio and GW calculations» (2012)، وقد استُشهد به 87 مرة. 8 من هذه المنشورات تعود إلى آخر ثلاث سنوات من النشاط. شارك في تأليف أعماله 12 باحثًا على الأقل، منهم باحثون من مؤسسات في تونس، المغرب، السعودية.
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إنشاء ملفي المجاني إضافة منشوراتيمجالات البحث
- Advanced Chemical Physics Studies
- Crystal Structures and Properties
- Crystallography and molecular interactions
- Crystal structures of chemical compounds
- Inorganic Chemistry and Materials
المنشورات (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
مجلات النشر
- 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
المنشورات حسب السنة
- 20263
- 20254
- 20241
- 20235
- 20226
- 20215
- 20204
- 20194
- 20173
- 20161
التعاون العلمي
المؤسسات الشريكة : 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
بلدان المؤلفين المشاركين : تونس · المغرب · السعودية
المؤلفون المشاركون
- 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
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