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