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