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Numerical simulation studies Ab initio calculations 100 termination Ultra-thin films X-ray photoelectron spectroscopy Surface energy Random alloy Iron aluminide Magnesium oxides Raman spectroscopy Density functional calculations Oxides XPS THIN-FILMS Out-of-equilibrium dynamic properties Phospho-olivines Lattice dynamics Pulsed laser deposition III-V semiconductors Surface diffusion Structural properties Li-ion batteries Antibacterial activity Silver Computer simulation 7322−f FTIR Oxide Model catalyst Nuclear quantum effects Magnesium oxide Iron Nanocrystal Nanoparticles Water FTIR spectroscopy Heterogeneous catalysis Surface reconstruction Molecular dynamics Segregation Solid-state dewetting Cobalt Vacancies crystal Conduction bands Chemisorption Phonons Oxygen Self-assembly Iron compounds Carbon monoxide oxidation Intercalation compounds Metal-insulator boundaries Adsorption Local structure MgO Scanning tunneling microscopy NANOKIN code Plasmon Magnetic properties and materials Nucleation Interfaces Couches minces Platinum Oxidation Vibrational spectroscopy Magnetic properties Magnetic properties of nanostructures Nucleation and growth Surface science Magnetron sputtering Metals Structure SEMICONDUCTORS Vortex gyrotropic motion Faceting Raman spectra X-ray diffraction Lithium batteries Clusters Thin films Surfaces Nanostructures Carbon Magnesium compounds Lithium-ion batteries Lithium compounds Grazing incidence small angle X-ray scattering Density functional theory Spinel XRD Miscibility gap Surface chemistry Layered compounds Monolayers SURFACES GISAXS Chemical bonding Wet synthesis Gold nanoparticles Olivine