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Computer simulation Phospho-olivines Nucleation and growth Raman spectra Layered compounds ATOMS Local structure Cobalt Adsorption Gold nanoparticles Nanostructures Surface reconstruction Nanoparticles Auger spectroscopy Magnetic properties Ultra-thin films Oxides Vacancies crystal III-V semiconductors Density functional calculations Anisotropy Carbon monoxide oxidation FTIR Thin films Conduction bands 1ST-PRINCIPLES Model catalyst ANATASE Antibacterial activity B subtilis AUGMENTED-WAVE METHOD Water ALUMINA SURFACES Abinitio calculations Structure Magnetic properties of nanostructures Bain thermique quantique Amorphous silica MgO Magnesium oxide Raman spectroscopy NANOKIN code Aromatic ligands ALLOYS Adsorption isotherms Surface energy Grazing incidence small angle X-ray scattering Miscibility gap ATOMIC-STRUCTURE Vortex gyrotropic motion XRD Lithium compounds Magnetic properties and materials Li-ion batteries Atom emission Faceting ALPHA-AL2O3 0001 SURFACE Alloy nanoparticles Iron Au-Co and Pt-Co alloys SEMICONDUCTORS 2DEG Alkaline cells THIN-FILMS GISAXS Magnesium oxides Platinum Magnesium compounds Antimony FTIR spectroscopy 100 termination Self-assembly Atomistic simulations Clusters Interfaces Lithium-ion batteries Lattice dynamics X-ray diffraction XPS Lithium batteries Metals ADSORPTION Ab initio calculations Intercalation compounds Out-of-equilibrium dynamic properties Vibrational spectroscopy Metal-insulator boundaries Iron compounds Surface chemistry Numerical simulation studies BATTERIES Spinel Heterogeneous catalysis Pulsed laser deposition Density functional theory Oxidation Scanning tunneling microscopy Ab initio thermodynamics Wet synthesis Nucleation