DC Field | Value | Language |
---|---|---|
dc.contributor.author | Cho, JH | - |
dc.contributor.author | Oh, DH | - |
dc.contributor.author | Kim, KS | - |
dc.contributor.author | Kleinman, L | - |
dc.date.accessioned | 2015-06-25T02:20:37Z | - |
dc.date.available | 2015-06-25T02:20:37Z | - |
dc.date.created | 2009-02-28 | - |
dc.date.issued | 2002-03-01 | - |
dc.identifier.issn | 0021-9606 | - |
dc.identifier.other | 2015-OAK-0000002475 | en_US |
dc.identifier.uri | https://oasis.postech.ac.kr/handle/2014.oak/10780 | - |
dc.description.abstract | The adsorption of 1,4-cyclohexadiene on the Si(001) surface is studied by first-principles density-functional calculations within the generalized gradient approximation. The "pedestal" structure where the two C==C double bonds react with different Si dimers is found to be more stable than the "upright" structure where only one of the two C==C bonds reacts with a Si dimer. However, the [2+2] cycloaddition reaction can easily form the upright structure but not the pedestal one. The latter structure can be obtained from the former through a high energy barrier of similar to0.95 eV, indicating a small reaction rate at room temperature. Our results provide the theoretical basis for the interpretation of recent low-energy electron diffraction and photoelectron spectroscopy data in which the upright structure was seen. (C) 2002 American Institute of Physics. | - |
dc.description.statementofresponsibility | open | en_US |
dc.language | English | - |
dc.publisher | AMER INST PHYSICS | - |
dc.relation.isPartOf | JOURNAL OF CHEMICAL PHYSICS | - |
dc.rights | BY_NC_ND | en_US |
dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/2.0/kr | en_US |
dc.title | Adsorption structure of 1,4-cyclohexadiene on Si(001) | - |
dc.type | Article | - |
dc.contributor.college | 화학과 | en_US |
dc.identifier.doi | 10.1063/1.1448293 | - |
dc.author.google | Cho, JH | en_US |
dc.author.google | Oh, DH | en_US |
dc.author.google | Kleinman, L | en_US |
dc.author.google | Kim, KS | en_US |
dc.relation.volume | 116 | en_US |
dc.relation.issue | 9 | en_US |
dc.relation.startpage | 3800 | en_US |
dc.relation.lastpage | 3804 | en_US |
dc.contributor.id | 10051563 | en_US |
dc.relation.journal | JOURNAL OF CHEMICAL PHYSICS | en_US |
dc.relation.index | SCI급, SCOPUS 등재논문 | en_US |
dc.relation.sci | SCI | en_US |
dc.collections.name | Journal Papers | en_US |
dc.type.rims | ART | - |
dc.identifier.bibliographicCitation | JOURNAL OF CHEMICAL PHYSICS, v.116, no.9, pp.3800 - 3804 | - |
dc.identifier.wosid | 000173888400030 | - |
dc.date.tcdate | 2019-01-01 | - |
dc.citation.endPage | 3804 | - |
dc.citation.number | 9 | - |
dc.citation.startPage | 3800 | - |
dc.citation.title | JOURNAL OF CHEMICAL PHYSICS | - |
dc.citation.volume | 116 | - |
dc.contributor.affiliatedAuthor | Kim, KS | - |
dc.identifier.scopusid | 2-s2.0-0036492152 | - |
dc.description.journalClass | 1 | - |
dc.description.journalClass | 1 | - |
dc.description.wostc | 18 | - |
dc.description.scptc | 19 | * |
dc.date.scptcdate | 2018-10-274 | * |
dc.type.docType | Article | - |
dc.subject.keywordPlus | ORDERED ORGANIC MONOLAYERS | - |
dc.subject.keywordPlus | SILICON(001) SURFACE | - |
dc.subject.keywordPlus | CYCLOADDITION CHEMISTRY | - |
dc.subject.keywordPlus | SELF-CONSISTENT | - |
dc.subject.keywordPlus | PSEUDOPOTENTIALS | - |
dc.subject.keywordPlus | ETHYLENE | - |
dc.subject.keywordPlus | SI(100)-(2X1) | - |
dc.subject.keywordPlus | SI(100)(2X1) | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Physical | - |
dc.relation.journalWebOfScienceCategory | Physics, Atomic, Molecular & Chemical | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.relation.journalResearchArea | Chemistry | - |
dc.relation.journalResearchArea | Physics | - |
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