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