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Mots clés
Density functional theory
Chemical bonding
Molecular dynamics
FTIR
NANOKIN code
Clusters
GISAXS
Carbon
Palladium
Metals
Raman spectra
Magnesium compounds
Surface science
III-V semiconductors
Nanocrystal
EPR
FTIR spectroscopy
Couches minces
Monolayers
Magnesium oxide
Lithium-ion batteries
Adsorption
Grazing incidence X-ray diffraction
Silver
Oxygen
Out-of-equilibrium dynamic properties
Magnetic properties of nanostructures
7322−f
Layered compounds
Numerical simulation studies
Thin films
ZnO
XPS
Intégrales de chemin
Metal/oxide interface
Iron compounds
Local structure
Magnetron sputtering
Li-ion batteries
Model catalyst
X-ray diffraction
Computer simulation
Structure
Nanostructures
Lithium batteries
Force field
Path integrals
Spinel
Chemisorption
Platinum
Hydrogen bonds
Ultra-thin films
MgO
Oxides
Segregation
Ab initio calculations
Antibacterial activity
Defects
Quantum nuclear effects
Iron
Quantum thermal bath
Heterogeneous catalysis
DFT
Magnesium oxides
Gold nanoparticles
Nanoparticles
Intercalation compounds
Phonons
Olivine
Faceting
Oxidation
Magnetic properties and materials
Cobalt
Interfaces
Magnetic properties
Nucleation
Effets quantiques nucléaires
Metal oxide nanoparticles
Conduction bands
Edgeworth expansion
Raman spectroscopy
Grazing incidence small angle X-ray scattering
Water
Nucleation and growth
Argent
Miscibility gap
Dioxyde de titane
Microstructure
Iron aluminide
Vibrational spectroscopy
Carbon monoxide oxidation
Lithium compounds
Density functional calculations
Scanning tunneling microscopy
Lattice dynamics
Metal-insulator boundaries
Phase transition
Solid-state dewetting
Nuclear quantum effects
Optical properties