Gold in graphene : in-plane adsorption and diffusion

Malola, Sami; Häkkinen, Hannu; Koskinen, Pekka

doi:10.1063/1.3075216

dc.contributor.author	Malola, Sami
dc.contributor.author	Häkkinen, Hannu
dc.contributor.author	Koskinen, Pekka
dc.date.accessioned	2024-11-13T13:24:23Z
dc.date.available	2024-11-13T13:24:23Z
dc.date.issued	2009
dc.identifier.citation	Malola, S., Häkkinen, H., & Koskinen, P. (2009). Gold in graphene : in-plane adsorption and diffusion. <i>Applied Physics Letters</i>, <i>94</i>(4), Article 043106. <a href="https://doi.org/10.1063/1.3075216" target="_blank">https://doi.org/10.1063/1.3075216</a>
dc.identifier.other	CONVID_19387939
dc.identifier.other	TUTKAID_39411
dc.identifier.uri	https://jyx.jyu.fi/handle/123456789/98403
dc.description.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.	en
dc.format.mimetype	application/pdf
dc.language.iso	eng
dc.relation.ispartofseries	Applied Physics Letters
dc.rights	In Copyright
dc.subject.other	Density functional theory
dc.subject.other	Molecular dynamics
dc.subject.other	Carbon based materials
dc.subject.other	Graphene
dc.subject.other	Nanotubes
dc.subject.other	Transition metals
dc.subject.other	Chemical elements
dc.subject.other	Diffusion barriers
dc.subject.other	Chemical bonding
dc.title	Gold in graphene : in-plane adsorption and diffusion
dc.type	article
dc.identifier.urn	URN:NBN:fi:jyu-202411137246
dc.contributor.laitos	Fysiikan laitos	fi
dc.contributor.laitos	Kemian laitos	fi
dc.contributor.laitos	Department of Physics	en
dc.contributor.laitos	Department of Chemistry	en
dc.type.uri	http://purl.org/eprint/type/JournalArticle
dc.type.coar	http://purl.org/coar/resource_type/c_2df8fbb1
dc.description.reviewstatus	peerReviewed
dc.relation.issn	0003-6951
dc.relation.numberinseries	4
dc.relation.volume	94
dc.type.version	other
dc.rights.copyright	© 2009 AIP Publishing
dc.rights.accesslevel	openAccess	fi
dc.subject.yso	kulta
dc.subject.yso	grafeeni
dc.subject.yso	tiheysfunktionaaliteoria
dc.format.content	fulltext
jyx.subject.uri	http://www.yso.fi/onto/yso/p19016
jyx.subject.uri	http://www.yso.fi/onto/yso/p24483
jyx.subject.uri	http://www.yso.fi/onto/yso/p28852
dc.rights.url	http://rightsstatements.org/page/InC/1.0/?language=en
dc.relation.doi	10.1063/1.3075216
jyx.fundinginformation	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.).
dc.type.okm	A1