Issue 13, 2018

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

Abstract

Core 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.

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

Article information

Article type
Perspective
Submitted
19 Dec 2017
Accepted
21 Feb 2018
First published
12 Mar 2018

Phys. Chem. Chem. Phys., 2018,20, 8403-8410

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

F. Viñes, C. Sousa and F. Illas, Phys. Chem. Chem. Phys., 2018, 20, 8403 DOI: 10.1039/C7CP08503F

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