Investigation of the bonding of SiHn and CHn (n=1,…,3) on Cu(111) using DFT
In: Applied Surface Science, Jg. 258 (2012-07-01), S. 7546-7551
Online
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Zugriff:
The interaction of SiHn and CHn (n = 1,…,3) fragments with the three-fold sites of Cu(1 1 1) has been investigated using LCAO-DFT. The binding site preference for the HCP site (SiHn) has been shown to be due to the removal of unoccupied Si 3p–Cu 4s anti-bonding states by the second layer Cu ion cores. A similar but less pronounced effect is shown between the C 2p–Cu 4s interaction for CHn fragments bound in the FCC site.
Titel: |
Investigation of the bonding of SiHn and CHn (n=1,…,3) on Cu(111) using DFT
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Autor/in / Beteiligte Person: | Shuttleworth, I.G. |
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Zeitschrift: | Applied Surface Science, Jg. 258 (2012-07-01), S. 7546-7551 |
Veröffentlichung: | Elsevier BV, 2012 |
Medientyp: | unknown |
ISSN: | 0169-4332 (print) |
DOI: | 10.1016/j.apsusc.2012.04.083 |
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