Chemical analysis of the superatom model for sulfur-stabilized gold nanoparticles

Reimers, J; Wang, Y; Cankurtaran, B; Ford, M

Chemical analysis of the superatom model for sulfur-stabilized gold nanoparticles

Reimers, J Wang, Y Cankurtaran, B Ford, M

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Publisher:: American Chemical Society
Publication Type:: Non-traditional Output
Citation:: Reimers Jeffrey et al. 2010, 'Chemical analysis of the superatom model for sulfur-stabilized gold nanoparticles', Journal of the American Chemical Society, American Chemical Society, Washington D.C., USA
Issue Date:: 2010

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Field	Value	Language
dc.contributor.author	Reimers, J	en_US
dc.contributor.author	Wang, Y	en_US
dc.contributor.author	Cankurtaran, B	en_US
dc.contributor.author	Ford, M	en_US
dc.date.accessioned	2012-02-02T11:12:31Z
dc.date.available	2012-02-02T11:12:31Z
dc.date.issued	2010	en_US
dc.identifier	2010005833	en_US
dc.identifier.citation	Reimers Jeffrey et al. 2010, 'Chemical analysis of the superatom model for sulfur-stabilized gold nanoparticles', Journal of the American Chemical Society, American Chemical Society, Washington D.C., USA	en_US
dc.identifier.issn	0002-7863	en_US
dc.identifier.other	C5	en_US
dc.identifier.uri	http://hdl.handle.net/10453/16728
dc.description.abstract	The superatom model for nanoparticle structure is shown to be inadequate for the prediction of the thermodynamic stability of gold nanoparticles. The observed large HOMO-LUMO gaps for stable nanoparticles predicted by this model are, for sulfur-stabilized gold nanoparticles, attributed to covalent interactions of the metal with thiyl adsorbate radicals rather than ionic interactions with thiolate adsorbate ions, as is commonly presumed. In particular, gold adatoms in the stabilizing layer are shown to be of Au(0) nature, subtle but significantly different from the atoms of the gold core owing to the variations in the proportion of gold-gold and gold-sulfur links that form. These interactions explain the success of the superatom model in describing the electronic structure of both known and informatory nanoparticle compositions. Nanoparticle reaction energies are, however, found not to correlate with the completion of superatom shells.	en_US
dc.publisher	American Chemical Society	en_US
dc.relation.ispartof	Journal of the American Chemical Society	en_US
dc.relation.ispartof	Verified OK	en_US
dc.relation.hasversion	Accepted manuscript version
dc.relation.isbasedon	http://dx.doi.org/10.1021/ja101083v	en_US
dc.rights	This document is the Accepted Manuscript version of a Published Work that appeared in final form in J. Am. Chem. Soc., 2010, 132 (24), pp 8378–8384, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see [insert ACS Articles on Request author-directed link to Published Work, http://dx.doi.org/10.1021/ja101083v
dc.subject.classification	Physical Chemistry (incl. Structural	en_US
dc.title	Chemical analysis of the superatom model for sulfur-stabilized gold nanoparticles	en_US
dc.type	Non-traditional output
utslib.citation.volume	132	en_US
utslib.citation.number	24	en_US
utslib.location	Washington D.C., USA	en_US
utslib.citation.startpage	8378	en_US
utslib.citation.endpage	8384	en_US
utslib.identifier.org	SCI.Physics and Advanced Materials	en_US
utslib.for	030600	en_US
utslib.percentage	000100	en_US
utslib.copyright.status	open_access

Abstract:

The superatom model for nanoparticle structure is shown to be inadequate for the prediction of the thermodynamic stability of gold nanoparticles. The observed large HOMO-LUMO gaps for stable nanoparticles predicted by this model are, for sulfur-stabilized gold nanoparticles, attributed to covalent interactions of the metal with thiyl adsorbate radicals rather than ionic interactions with thiolate adsorbate ions, as is commonly presumed. In particular, gold adatoms in the stabilizing layer are shown to be of Au(0) nature, subtle but significantly different from the atoms of the gold core owing to the variations in the proportion of gold-gold and gold-sulfur links that form. These interactions explain the success of the superatom model in describing the electronic structure of both known and informatory nanoparticle compositions. Nanoparticle reaction energies are, however, found not to correlate with the completion of superatom shells.

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http://hdl.handle.net/10453/16728