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Article: Molecular simulation of oxygen on supported platinum clusters

TitleMolecular simulation of oxygen on supported platinum clusters
Authors
Wu, GWChan, KY
KeywordsElectrode processes
Intramolecular force
Oxygen
Platinum clusters
Issue Date1998
PublisherElsevier SA. The Journal's web site is located at http://www.elsevier.com/locate/jelechem
Citation
Journal Of Electroanalytical Chemistry, 1998, v. 450 n. 2, p. 225-231 How to Cite?
DOI: http://dx.doi.org/10.1016/S0022-0728(97)00642-6
AbstractMolecular dynamics simulations are performed to study oxygen adsorption on platinum clusters supported on a graphite surface. The Sutton-Chen many-body potential is used for the Pt-Pt interaction, whereas a Steele potential was used to represent the carbon surface. The oxygen-oxygen intramolecular force is modeled by a harmonic oscillator model and other interactions are described by the Lennard-Jones potential. The results indicate an optimum loading of platinum for maximum specific adsorption of oxygen. Adsorption isotherms are constructed and the energies and orientation of adsorbed oxygen are reported. The relevance of this study to electrode processes is discussed. © 1998 Elsevier Science S.A. All rights reserved.
Persistent Identifierhttp://hdl.handle.net/10722/69605
ISSN
0022-0728
ISI Accession Number ID
WOS:000074726900008
References
References in Scopus

 

DC FieldValueLanguage
dc.contributor.authorWu, GWen_HK
dc.contributor.authorChan, KYen_HK
dc.date.accessioned2010-09-06T06:15:11Z-
dc.date.available2010-09-06T06:15:11Z-
dc.date.issued1998en_HK
dc.identifier.citationJournal Of Electroanalytical Chemistry, 1998, v. 450 n. 2, p. 225-231en_HK
dc.identifier.issn0022-0728en_HK
dc.identifier.urihttp://hdl.handle.net/10722/69605-
dc.description.abstractMolecular dynamics simulations are performed to study oxygen adsorption on platinum clusters supported on a graphite surface. The Sutton-Chen many-body potential is used for the Pt-Pt interaction, whereas a Steele potential was used to represent the carbon surface. The oxygen-oxygen intramolecular force is modeled by a harmonic oscillator model and other interactions are described by the Lennard-Jones potential. The results indicate an optimum loading of platinum for maximum specific adsorption of oxygen. Adsorption isotherms are constructed and the energies and orientation of adsorbed oxygen are reported. The relevance of this study to electrode processes is discussed. © 1998 Elsevier Science S.A. All rights reserved.en_HK
dc.languageengen_HK
dc.publisherElsevier SA. The Journal's web site is located at http://www.elsevier.com/locate/jelechemen_HK
dc.relation.ispartofJournal of Electroanalytical Chemistryen_HK
dc.subjectElectrode processesen_HK
dc.subjectIntramolecular forceen_HK
dc.subjectOxygenen_HK
dc.subjectPlatinum clustersen_HK
dc.titleMolecular simulation of oxygen on supported platinum clustersen_HK
dc.typeArticleen_HK
dc.identifier.openurlhttp://library.hku.hk:4550/resserv?sid=HKU:IR&issn=1572-6657&volume=450&spage=225&epage=231&date=1998&atitle=Molecular+simulation+of+oxygen+on+supported+platinum+clustersen_HK
dc.identifier.emailChan, KY:hrsccky@hku.hken_HK
dc.identifier.authorityChan, KY=rp00662en_HK
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1016/S0022-0728(97)00642-6-
dc.identifier.scopuseid_2-s2.0-0032093066en_HK
dc.identifier.hkuros39918en_HK
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-0032093066&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume450en_HK
dc.identifier.issue2en_HK
dc.identifier.spage225en_HK
dc.identifier.epage231en_HK
dc.identifier.isiWOS:000074726900008-
dc.identifier.scopusauthoridWu, GW=7404975088en_HK
dc.identifier.scopusauthoridChan, KY=7406034142en_HK
dc.identifier.issnl0022-0728-

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