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Issue 13, 2018
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On the prediction of core level binding energies in molecules, surfaces and solids

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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

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Publication details

The article was received on 19 Dec 2017, accepted on 21 Feb 2018 and first published on 12 Mar 2018


Article type: Perspective
DOI: 10.1039/C7CP08503F
Citation: Phys. Chem. Chem. Phys., 2018,20, 8403-8410
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    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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