Gold in graphene : in-plane adsorption and diffusion
Abstract
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 et al, Small 4, 587 (2008)] but suggest that the observed diffusion mechanism is not thermally activated but radiation enhanced.
Main Authors
Format
Articles
Research article
Published
2009
Series
Subjects
Publication in research information system
The permanent address of the publication
https://urn.fi/URN:NBN:fi:jyu-202411137246Use this for linking
Review status
Peer reviewed
ISSN
0003-6951
DOI
https://doi.org/10.1063/1.3075216
Language
English
Published in
Applied Physics Letters
Citation
- Malola, S., Häkkinen, H., & Koskinen, P. (2009). Gold in graphene : in-plane adsorption and diffusion. Applied Physics Letters, 94(4), Article 043106. https://doi.org/10.1063/1.3075216
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Additional information about funding
We acknowledge support from the Academy of Finland (Project Nos. 121701 and 117997 and the FINNANO program, consortium MEP) and from the Finnish Cultural Foundation (S.M.).
Copyright© 2009 AIP Publishing