New Atomic Mechanism of Preferential Nucleation on the Herringbone Reconstruction of Au(111)

Current interpretations of the preferential nucleation on the herringbone reconstructed surface of Au(111) are based on the occurrence of atomic adsorption or site exchanges. By using molecular dynamics, we provide evidence for a new mechanism based on the ejection of a Au atom in the presence of a...

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Bibliographic Details
Published in:Journal of physical chemistry. C 2008-06, Vol.112 (24), p.8743-8746
Main Authors: Bulou, Hervé, Massobrio, Carlo
Format: Article
Language:English
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Summary:Current interpretations of the preferential nucleation on the herringbone reconstructed surface of Au(111) are based on the occurrence of atomic adsorption or site exchanges. By using molecular dynamics, we provide evidence for a new mechanism based on the ejection of a Au atom in the presence of a Co adatom and the subsequent formation of a Co−Au dimer. The origin of this mechanism is deeply rooted into the topology of the potential energy surface for the Co/Au(111) adsorption. As a prerequisite, we produce an accurate energy mapping showing that the most stable kink sites are hardly accessible by the Co adatom through standard sequences of displacements on the substrate. Co adatoms are first attracted toward the discommensuration lines and then are confined within them, in a way consistent with the existence of preferential diffusion channels toward the kink regions.
ISSN:1932-7447
1932-7455
DOI:10.1021/jp800758z