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Stability of gold atoms and dimers adsorbed on graphene

Varns, Rebecca, Strange, Paul (2008) Stability of gold atoms and dimers adsorbed on graphene. Journal of Physics: Condensed Matter, 20 (22). ISSN 0953-8984. (doi:10.1088/0953-8984/20/22/225005) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:3266)

The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided. (Contact us about this Publication)
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
DOI/Identification number: 10.1088/0953-8984/20/22/225005
Additional information: Proceedings paper. 12th International Conference on Vibrations at Surfaces Erice, ITALY, JUL 20-26, 2007. Article number 225005
Uncontrolled keywords: Physics of Quantum Materials
Subjects: Q Science > QC Physics
Divisions: Faculties > Sciences > School of Physical Sciences > Functional Materials Group
Faculties > Sciences > School of Physical Sciences
Depositing User: Paul Strange
Date Deposited: 05 Jun 2008 12:42 UTC
Last Modified: 25 Jan 2020 04:00 UTC
Resource URI: https://kar.kent.ac.uk/id/eprint/3266 (The current URI for this page, for reference purposes)
Strange, Paul: https://orcid.org/0000-0001-5818-8032
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