Ključne besede: Auger decay, Density functional theory, Franck-Condon factor, Inner core-hole, One-center approximation, Potential energy curve, Resonant Auger spectrum, Ultrafast molecular dissociationCelotno besedilo (datoteka, 5,39 MB)
Ključne besede: cerium oxide, truncated octahedron nanoparticles, cubic nanoparticles, surface charge, HR-TEM, isoelectric point, density functional theoryCelotno besedilo (datoteka, 5,86 MB) Gradivo ima več datotek! Več...
Ključne besede: Scanning Tunneling Microscopy (STM), Scanning Tunneling Spectroscopy (STS), Quasi-particle interference, charge density waves, molecular self-assembly, Density Functional Theory (DFT)Celotno besedilo (datoteka, 95,88 MB)
Ključne besede: liquid organic hydrogen carrier molecules, LOHC, multiscale modelling chemical reaction kinetics, density functional theory, DFT, computational fluid dynamics, CFD, machine learning, ML, catalysis, H$_2$ storageCelotno besedilo (datoteka, 11,73 MB) Gradivo ima več datotek! Več...