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