DC Field | Value | Language |
---|---|---|
dc.contributor.author | Lim, Heeseon | ko |
dc.contributor.author | Yang, Sena | ko |
dc.contributor.author | Lee, Myungjin | ko |
dc.contributor.author | Kim, Sehun | ko |
dc.contributor.author | Lee, Hangil | ko |
dc.date.accessioned | 2013-08-22T02:29:22Z | - |
dc.date.available | 2013-08-22T02:29:22Z | - |
dc.date.created | 2013-08-21 | - |
dc.date.created | 2013-08-21 | - |
dc.date.issued | 2013-07 | - |
dc.identifier.citation | CHEMICAL PHYSICS LETTERS, v.578, pp.162 - 166 | - |
dc.identifier.issn | 0009-2614 | - |
dc.identifier.uri | http://hdl.handle.net/10203/175571 | - |
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.language | English | - |
dc.publisher | ELSEVIER SCIENCE BV | - |
dc.subject | SELF-ASSEMBLED MONOLAYERS | - |
dc.subject | ELECTRONIC-STRUCTURE | - |
dc.subject | ORGANIC-REACTIONS | - |
dc.subject | SURFACE | - |
dc.subject | PASSIVATION | - |
dc.subject | PRINCIPLES | - |
dc.subject | POTENTIALS | - |
dc.subject | CHEMISTRY | - |
dc.subject | INDEX | - |
dc.subject | X-1 | - |
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.identifier.wosid | 000321560000029 | - |
dc.identifier.scopusid | 2-s2.0-84879909105 | - |
dc.type.rims | ART | - |
dc.citation.volume | 578 | - |
dc.citation.beginningpage | 162 | - |
dc.citation.endingpage | 166 | - |
dc.citation.publicationname | CHEMICAL PHYSICS LETTERS | - |
dc.identifier.doi | 10.1016/j.cplett.2013.06.001 | - |
dc.contributor.localauthor | Kim, Sehun | - |
dc.contributor.nonIdAuthor | Lim, Heeseon | - |
dc.contributor.nonIdAuthor | Yang, Sena | - |
dc.contributor.nonIdAuthor | Lee, Myungjin | - |
dc.contributor.nonIdAuthor | Lee, Hangil | - |
dc.type.journalArticle | Article | - |
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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