Gold in graphene: In-plane adsorption and diffusion

We study the bonding and diffusion of Au in graphene vacancies using density-functional theory. Energetics show that Au adsorbs preferably to double vacancies, steadily in-plane with graphene. All diffusion barriers for the complex of Au in double vacancy are above 4 eV, whereas the barriers for lar...

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Bibliographic Details
Published in:Applied physics letters 2009-01, Vol.94 (4), p.043106-043106-3
Main Authors: Malola, Sami, Häkkinen, Hannu, Koskinen, Pekka
Format: Article
Language:English
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Summary:We study the bonding and diffusion of Au in graphene vacancies using density-functional theory. Energetics show that Au adsorbs preferably to double vacancies, steadily in-plane with graphene. All diffusion barriers for the complex of Au in double vacancy are above 4 eV, whereas the barriers for larger vacancies are below 2 eV. Our results support the main results of a recent experiment [ Y. Gan , Small 4 , 587 ( 2008 ) ] but suggest that the observed diffusion mechanism is not thermally activated but radiation enhanced.
ISSN:0003-6951
1077-3118
DOI:10.1063/1.3075216