A systematic DFT study of substrate reconstruction effects due to thiolate and selenolate adsorption

Erstveröffentlichung

2015

Authors

Forster-Tonigold, Katrin

Gross, Axel

Wissenschaftlicher Artikel

Published in

Surface science ; 640 (2015). - S. 18-24. - ISSN 0039-6028. - eISSN 1879-2758

Link to publication

https://dx.doi.org/10.1016/j.susc.2015.04.003

Faculties

Fakultät für Naturwissenschaften

Institutions

Helmholtz-Institut Ulm
Institut für Theoretische Chemie

Subject headings

[Free subject headings]: Thiolates | Metal surfaces | Adsorption | Density functional theory calculations | Correction for dispersion | SELF-ASSEMBLED MONOLAYERS | TOTAL-ENERGY CALCULATIONS | SURFACE-DEFECTS | GOLD ADATOMS | AU(111) | METHYLTHIOLATE | BENZENETHIOL | INTERFACE | STABILITY | CHEMISTRY
[DDC subject group]: DDC 530 / Physics | DDC 540 / Chemistry & allied sciences

Metadata

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