On the prediction of core level binding energies in molecules, surfaces and solids

Viñes Solana, FrancescSousa Romero, CarmenIllas i Riera, Francesc2020-05-202020-05-202018-04-071463-9076https://hdl.handle.net/2445/161557Core level binding energies, directly measured by X-ray photoelectron spectroscopy (XPS), provide unique information regarding the chemical environment of atoms in a given system. However, interpretation of XPS in extended systems may not be straightforward and requires assistance from theory. The different state-of-the-art theoretical methods commonly used to approach core level binding energies and their shifts with respect to a given reference are reviewed and critically assessed with special emphasis on recently developed theoretical methods and with a focus on future applications in materials and surface sciences.8 p.application/pdfeng(c) Viñes Solana, Francesc et al., 2018NanoestructuresEspectroscòpia de raigs XNanostructuresX-ray spectroscopyOn the prediction of core level binding energies in molecules, surfaces and solidsinfo:eu-repo/semantics/article6802392020-05-20info:eu-repo/semantics/openAccess