Gold in graphene : in-plane adsorption and diffusion

Malola, Sami; Häkkinen, Hannu; Koskinen, Pekka

0812.3751v1.pdf

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Gold in graphene : in-plane adsorption and diffusion

Abstrakti

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.

Päätekijät

Malola, Sami Häkkinen, Hannu Koskinen, Pekka

Aineistotyyppi

Artikkelit Tutkimusartikkeli

Julkaistu

2009

Sarja

Applied Physics Letters

Aiheet

Density functional theory

Molecular dynamics

Carbon based materials

Graphene

Nanotubes

Transition metals

Chemical elements

Diffusion barriers

Chemical bonding

kulta

grafeeni

tiheysfunktionaaliteoria

Julkaisu tutkimustietojärjestelmässä

https://converis.jyu.fi/converis/portal/detail/Publication/19387939

Julkaisun pysyvä osoite

https://urn.fi/URN:NBN:fi:jyu-202411137246Käytä tätä linkitykseen

Vertaisarvioinnin tila

Vertaisarvioitu

ISSN

0003-6951

DOI

https://doi.org/10.1063/1.3075216

Kieli

englanti

Julkaisussa

Applied Physics Letters

Viite

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

Lisenssi

Lisätietoja rahoituksesta

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.).

Gold in graphene : in-plane adsorption and diffusion

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