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

Author:

Viñes Francesc1234ORCID,Sousa Carmen1234,Illas Francesc1234ORCID

Affiliation:

1. Departament de Ciència de Materials i Química Física & Institut de Quimica Teòrica i Computacional (IQTCUB)

2. Universitat de Barcelona

3. 08028 Barcelona

4. Spain

Abstract

Core level binding energies, measured by X-ray photoelectron spectroscopy providing unique information regarding the chemical environment of atoms in a system, can be estimated by a diversity of state-of-the-art accurate methods here detailed.

Funder

Generalitat de Catalunya

Institució Catalana de Recerca i Estudis Avançats

Ministerio de Economía y Competitividad

Horizon 2020 Framework Programme

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference69 articles.

1. Precision Method for Obtaining Absolute Values of Atomic Binding Energies

2. K. Siegbahn , C.Nordling , A.Falhman , R.Nordberg , K.Hamrin , J.Hedman , G.Johansson , T.Bergmark , S. E.Karlsson , I.Lindgren and B.Lindberg , ESCA-Atomic, Molecular and Solid State Structure Studied by Means of Electron Spectroscopy, Alwmvist and Wiksells Boktryckeri AB , Uppsala, Sweden , 1967

3. K. Siegbahn , C.Nordling , G.Johansson , J.Hedman , P. F.Hedén , K.Hamrin , U.Gelius , T.Bergmark , L. O.Werme , R.Manne and Y.Baer , ESCA-Applied to Free Molecules , North-Holland, Amsterdam , 1969

4. Chemical Shift Effect in Inner Electronic Levels of Cu Due to Oxidation

5. Mechanisms responsible for chemical shifts of core-level binding energies and their relationship to chemical bonding

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