Stability of gold atoms and dimers adsorbed on graphene

Varns, Rebecca and Strange, Paul (2008) Stability of gold atoms and dimers adsorbed on graphene. Journal of Physics: Condensed Matter, 22 . p. 225005. ISSN 0953-8984. (The full text of this publication is not available from this repository)

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Official URL
http://dx.doi.org/doi:10.1088/0953-8984/20/22/2250...

Abstract

We report density functional theory (DFT) calculations for gold atoms and dimers on the surface of graphene. The calculations were performed using the plane wave pseudopotential method. Calculations were performed for a variety of geometries, and both the graphene surface and gold atoms were allowed to fully relax. In agreement with experiment, our results show that the gold–gold interaction is considerably stronger than the gold–graphene interaction, implying that uniform coverage could not be attained. The minimum energy configuration for a single gold atom is found to be directly above a carbon atom, while for the dimer it is perpendicular to the surface and directly above a carbon–carbon bond. Our results are consistent with previous similar calculations.

Item Type: Article
Additional information: Proceedings paper. 12th International Conference on Vibrations at Surfaces Erice, ITALY, JUL 20-26, 2007. Article number 225005
Subjects: Q Science > QC Physics
Divisions: Faculties > Science Technology and Medical Studies > School of Physical Sciences > Functional Materials Group
Faculties > Science Technology and Medical Studies > School of Physical Sciences
Depositing User: Paul Strange
Date Deposited: 05 Jun 2008 12:42
Last Modified: 16 Apr 2014 15:34
Resource URI: http://kar.kent.ac.uk/id/eprint/3266 (The current URI for this page, for reference purposes)
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