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Article: Analyses of surface and core atoms in a platinum nanoparticle

TitleAnalyses of surface and core atoms in a platinum nanoparticle
Authors
Issue Date2003
PublisherRoyal Society of Chemistry. The Journal's web site is located at http://www.rsc.org/pccp
Citation
Physical Chemistry Chemical Physics, 2003, v. 5 n. 13, p. 2869-2874 How to Cite?
AbstractMolecular dynamics simulations of a platinum nanocluster consisting 250 atoms were performed at different temperatures between 70 K and 298 K. The semi-empirical, many-body Sutton-Chen (SC) potential was used to model the interatomic interaction in the metallic system. Regions of core or bulk-like atoms and surface atoms can be defined from analyses of structures, atomic coordination, and the local density function of atoms as defined in the SC potential. The core atoms in the nanoparticle behave as bulk-like metal atoms with a predominant face centered cubic (fcc) packing. The interface between surface atoms and core atoms is marked by a peak in the local density function and corresponds to near surface atoms. The near surface atoms and surface atoms prefer a hexagonal closed packing (hcp). The temperature and size effects on structures of the nanoparticle and the dynamics of the surface region and the core region are discussed.
Persistent Identifierhttp://hdl.handle.net/10722/68994
ISSN
2015 Impact Factor: 4.449
2015 SCImago Journal Rankings: 1.836
ISI Accession Number ID
References

 

DC FieldValueLanguage
dc.contributor.authorChui, YHen_HK
dc.contributor.authorChan, KYen_HK
dc.date.accessioned2010-09-06T06:09:35Z-
dc.date.available2010-09-06T06:09:35Z-
dc.date.issued2003en_HK
dc.identifier.citationPhysical Chemistry Chemical Physics, 2003, v. 5 n. 13, p. 2869-2874en_HK
dc.identifier.issn1463-9076en_HK
dc.identifier.urihttp://hdl.handle.net/10722/68994-
dc.description.abstractMolecular dynamics simulations of a platinum nanocluster consisting 250 atoms were performed at different temperatures between 70 K and 298 K. The semi-empirical, many-body Sutton-Chen (SC) potential was used to model the interatomic interaction in the metallic system. Regions of core or bulk-like atoms and surface atoms can be defined from analyses of structures, atomic coordination, and the local density function of atoms as defined in the SC potential. The core atoms in the nanoparticle behave as bulk-like metal atoms with a predominant face centered cubic (fcc) packing. The interface between surface atoms and core atoms is marked by a peak in the local density function and corresponds to near surface atoms. The near surface atoms and surface atoms prefer a hexagonal closed packing (hcp). The temperature and size effects on structures of the nanoparticle and the dynamics of the surface region and the core region are discussed.en_HK
dc.languageengen_HK
dc.publisherRoyal Society of Chemistry. The Journal's web site is located at http://www.rsc.org/pccpen_HK
dc.relation.ispartofPhysical Chemistry Chemical Physicsen_HK
dc.titleAnalyses of surface and core atoms in a platinum nanoparticleen_HK
dc.typeArticleen_HK
dc.identifier.openurlhttp://library.hku.hk:4550/resserv?sid=HKU:IR&issn=1463-9076&volume=5&spage=2869&epage=2874&date=2003&atitle=Analyses+of+surface+and+core+atoms+in+a+platinum+nanoparticleen_HK
dc.identifier.emailChan, KY:hrsccky@hku.hken_HK
dc.identifier.authorityChan, KY=rp00662en_HK
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1039/b302122jen_HK
dc.identifier.scopuseid_2-s2.0-0037964709en_HK
dc.identifier.hkuros82594en_HK
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-0037964709&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume5en_HK
dc.identifier.issue13en_HK
dc.identifier.spage2869en_HK
dc.identifier.epage2874en_HK
dc.identifier.isiWOS:000183914800021-
dc.publisher.placeUnited Kingdomen_HK
dc.identifier.scopusauthoridChui, YH=14629936900en_HK
dc.identifier.scopusauthoridChan, KY=7406034142en_HK

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