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Article: Size-dependent mobility of platinum cluster on a graphite surface

TitleSize-dependent mobility of platinum cluster on a graphite surface
Authors
KeywordsCatalyst
Electrocatalysis
Metallic nanoparticles
Platinum
Issue Date2005
PublisherTaylor & Francis Ltd. The Journal's web site is located at http://www.tandf.co.uk/journals/titles/08927022.asp
Citation
Molecular Simulation, 2005, v. 31 n. 6-7, p. 527-533 How to Cite?
AbstractMolecular dynamics simulations of platinum (Pt) clusters on a graphite surface were performed to study their diffusion and aggregation. The Sutton-Chen many-body potential was used for the Pt-Pt interaction, whereas, a Steele potential was used to calculate the interaction between Pt atoms and carbon (C) atoms of graphite. The results show that at room temperature, the Pt clusters with less than 40 atoms are very mobile with a two-dimensional diffusion coefficient higher than 10-11 m2 s-1, but decreasing rapidly with size. The diffusion coefficient of larger cluster has variable size-dependence with local minima at cluster sizes of 50 and 300 Pt atoms and a local maximum at cluster size of 100 atoms. In additional to the overall size of the Pt cluster or nanoparticle, the mismatch between the bottom layer of Pt and graphite also affected the overall Pt-graphite affinity and hence the Pt cluster mobility. The presence of a neighboring Pt cluster can greatly affect mobility. The aggregation of two 50-atom clusters to form a single cluster was observed with the simulation. The relatively stable short dumbbell-like structure of the new cluster resembles previous experimentally observed network of connected Pt nanoparticles on graphite. © 2005 Taylor & Francis Ltd.
Persistent Identifierhttp://hdl.handle.net/10722/68835
ISSN
2015 Impact Factor: 1.678
2015 SCImago Journal Rankings: 0.535
ISI Accession Number ID
References

 

DC FieldValueLanguage
dc.contributor.authorChen, Jen_HK
dc.contributor.authorChan, KYuen_HK
dc.date.accessioned2010-09-06T06:08:09Z-
dc.date.available2010-09-06T06:08:09Z-
dc.date.issued2005en_HK
dc.identifier.citationMolecular Simulation, 2005, v. 31 n. 6-7, p. 527-533en_HK
dc.identifier.issn0892-7022en_HK
dc.identifier.urihttp://hdl.handle.net/10722/68835-
dc.description.abstractMolecular dynamics simulations of platinum (Pt) clusters on a graphite surface were performed to study their diffusion and aggregation. The Sutton-Chen many-body potential was used for the Pt-Pt interaction, whereas, a Steele potential was used to calculate the interaction between Pt atoms and carbon (C) atoms of graphite. The results show that at room temperature, the Pt clusters with less than 40 atoms are very mobile with a two-dimensional diffusion coefficient higher than 10-11 m2 s-1, but decreasing rapidly with size. The diffusion coefficient of larger cluster has variable size-dependence with local minima at cluster sizes of 50 and 300 Pt atoms and a local maximum at cluster size of 100 atoms. In additional to the overall size of the Pt cluster or nanoparticle, the mismatch between the bottom layer of Pt and graphite also affected the overall Pt-graphite affinity and hence the Pt cluster mobility. The presence of a neighboring Pt cluster can greatly affect mobility. The aggregation of two 50-atom clusters to form a single cluster was observed with the simulation. The relatively stable short dumbbell-like structure of the new cluster resembles previous experimentally observed network of connected Pt nanoparticles on graphite. © 2005 Taylor & Francis Ltd.en_HK
dc.languageengen_HK
dc.publisherTaylor & Francis Ltd. The Journal's web site is located at http://www.tandf.co.uk/journals/titles/08927022.aspen_HK
dc.relation.ispartofMolecular Simulationen_HK
dc.subjectCatalysten_HK
dc.subjectElectrocatalysisen_HK
dc.subjectMetallic nanoparticlesen_HK
dc.subjectPlatinumen_HK
dc.titleSize-dependent mobility of platinum cluster on a graphite surfaceen_HK
dc.typeArticleen_HK
dc.identifier.openurlhttp://library.hku.hk:4550/resserv?sid=HKU:IR&issn=0892-7022&volume=31&spage=527&epage=533&date=2005&atitle=Size-dependent+mobility+of+platinum+cluster+on+a+graphite+surfaceen_HK
dc.identifier.emailChan, KYu:hrsccky@hku.hken_HK
dc.identifier.authorityChan, KYu=rp00662en_HK
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.doi10.1080/08927020500134292en_HK
dc.identifier.scopuseid_2-s2.0-22144454233en_HK
dc.identifier.hkuros106526en_HK
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-22144454233&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume31en_HK
dc.identifier.issue6-7en_HK
dc.identifier.spage527en_HK
dc.identifier.epage533en_HK
dc.identifier.isiWOS:000231311700018-
dc.publisher.placeUnited Kingdomen_HK
dc.identifier.scopusauthoridChen, J=26026824900en_HK
dc.identifier.scopusauthoridChan, KYu=7406034142en_HK
dc.identifier.citeulike255293-

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