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dc.contributor.authorWang, Y
dc.contributor.authorHwang, GS
dc.date.accessioned2017-05-03T15:50:05Z
dc.date.available2017-05-03T15:50:05Z
dc.date.issued2005
dc.date.modified2013-12-12T03:27:54Z
dc.identifier.issn0003-6951
dc.identifier.doi10.1063/1.1849412
dc.identifier.urihttp://hdl.handle.net/10072/54900
dc.description.abstractUsing first principles quantum mechanics (DFT/GGA with pseudopotentials) calculations, we propose a mechanism for the P-assisted auto-catalyzed chain reaction of alkene molecules on a monohydride Si(001)-2ױ-H surface. This study shows that surface-incorporated P atoms can serve as an initiator and a terminator for the self-directed growth of one-dimensional molecular wires on Si(001). We first present reaction paths and energetics for creation of single Si dangling bonds by (P-associated) selective H2 desorption on the P-incorporated Si(001)-H surface, with comparison to associative H2 desorption on the clean Si(001)-H surface. The (Si-dangling bond mediated) growth of styrene molecular lines is then compared between the P-incorporated and clean Si(001) surfaces.
dc.description.peerreviewedYes
dc.description.publicationstatusYes
dc.languageEnglish
dc.language.isoeng
dc.publisherAmerican Institute of Physics
dc.publisher.placeUnited States
dc.relation.ispartofstudentpublicationN
dc.relation.ispartofpagefrom23108-1
dc.relation.ispartofpageto23108-3
dc.relation.ispartofissue2
dc.relation.ispartofjournalApplied Physics Letters
dc.relation.ispartofvolume86
dc.rights.retentionY
dc.subject.fieldofresearchPhysical sciences
dc.subject.fieldofresearchEngineering
dc.subject.fieldofresearchProcess control and simulation
dc.subject.fieldofresearchcode51
dc.subject.fieldofresearchcode40
dc.subject.fieldofresearchcode400407
dc.titleP-assisted growth of molecular wires on Si(001)-2×1
dc.typeJournal article
dc.type.descriptionC1 - Articles
dc.type.codeC - Journal Articles
gro.date.issued2005
gro.hasfulltextNo Full Text
gro.griffith.authorWang, Yun


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