Variation of adsorption geometries by the influence of nucleophilicity among p-CPA, p-TPA, and p-NPA on Ge(100)
DC Field | Value | Language |
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dc.contributor.author | Lim, Heeseon | - |
dc.contributor.author | Yang, Sena | - |
dc.contributor.author | Lee, Myungjin | - |
dc.contributor.author | Kim, Sehun | - |
dc.contributor.author | Lee, Hangil | - |
dc.date.available | 2021-02-22T12:15:47Z | - |
dc.date.issued | 2013-07 | - |
dc.identifier.issn | 0009-2614 | - |
dc.identifier.issn | 1873-4448 | - |
dc.identifier.uri | https://scholarworks.sookmyung.ac.kr/handle/2020.sw.sookmyung/11250 | - |
dc.description.abstract | The geometric configurations among phenylalanine derivatives (p-chlorophenylalanine, (p-CPA) thiophenylalanine (p-TPA), and p-nitrophenylalanine (p-NPA)) adsorbed on Ge(1 0 0) surfaces were investigated using density functional theory (DFT) calculations. We focused on describing the role of nucleophilic group (-Cl, -SH, and -NO2) being included in p-CPA, p-TPA, and p-NPA molecules, which can affect the stable adsorption structure energies and geometric configurations when they adsorb on the Ge(1 0 0) surface. We confirmed that geometric differences in the adsorption configurations indicated that their phenyl rings were tilted with respect to the Ge(1 0 0) surface by the effect of nucleophilicity and different sizes among -Cl, -SH and -NO2 groups. (c) 2013 Published by Elsevier B. | - |
dc.format.extent | 5 | - |
dc.language | 영어 | - |
dc.language.iso | ENG | - |
dc.publisher | ELSEVIER SCIENCE BV | - |
dc.title | Variation of adsorption geometries by the influence of nucleophilicity among p-CPA, p-TPA, and p-NPA on Ge(100) | - |
dc.type | Article | - |
dc.publisher.location | 네델란드 | - |
dc.identifier.doi | 10.1016/j.cplett.2013.06.001 | - |
dc.identifier.scopusid | 2-s2.0-84879909105 | - |
dc.identifier.wosid | 000321560000029 | - |
dc.identifier.bibliographicCitation | CHEMICAL PHYSICS LETTERS, v.578, pp 162 - 166 | - |
dc.citation.title | CHEMICAL PHYSICS LETTERS | - |
dc.citation.volume | 578 | - |
dc.citation.startPage | 162 | - |
dc.citation.endPage | 166 | - |
dc.type.docType | Article | - |
dc.description.isOpenAccess | N | - |
dc.description.journalRegisteredClass | sci | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.relation.journalResearchArea | Chemistry | - |
dc.relation.journalResearchArea | Physics | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Physical | - |
dc.relation.journalWebOfScienceCategory | Physics, Atomic, Molecular & Chemical | - |
dc.subject.keywordPlus | SELF-ASSEMBLED MONOLAYERS | - |
dc.subject.keywordPlus | ELECTRONIC-STRUCTURE | - |
dc.subject.keywordPlus | ORGANIC-REACTIONS | - |
dc.subject.keywordPlus | SURFACE | - |
dc.subject.keywordPlus | PASSIVATION | - |
dc.subject.keywordPlus | PRINCIPLES | - |
dc.subject.keywordPlus | POTENTIALS | - |
dc.subject.keywordPlus | CHEMISTRY | - |
dc.subject.keywordPlus | INDEX | - |
dc.subject.keywordPlus | X-1 | - |
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