Core electron binding energies of adsorbates on Cu(111) from first-principles calculations
Author:
Affiliation:
1. Department of Materials
2. Imperial College London
3. London SW7 2AZ
4. UK
5. Department of Physics and Department of Materials
6. and the Thomas Young Centre for Theory and Simulation of Materials
Abstract
C1s and O1s core level binding energy shifts have been calculated for various adsorbates on Cu(111) using the ΔSCF method.
Funder
Engineering and Physical Sciences Research Council
Thomas Young Centre
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2018/CP/C8CP04955F
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