DC Field | Value | Language |
---|---|---|
dc.contributor.author | Kim, DH | ko |
dc.contributor.author | Bae, SS | ko |
dc.contributor.author | Hong, S | ko |
dc.contributor.author | Kim, Sehun | ko |
dc.date.accessioned | 2013-03-09T22:29:33Z | - |
dc.date.available | 2013-03-09T22:29:33Z | - |
dc.date.created | 2012-02-06 | - |
dc.date.created | 2012-02-06 | - |
dc.date.issued | 2010-01 | - |
dc.identifier.citation | SURFACE SCIENCE, v.604, no.2, pp.129 - 135 | - |
dc.identifier.issn | 0039-6028 | - |
dc.identifier.uri | http://hdl.handle.net/10203/97666 | - |
dc.description.abstract | We have performed density-functional theory (DFT) calculations to investigate the adsorption structures of methanol on a Ge(1 0 0) surface. Among many possible adsorption configurations, the most favorable configurations at room temperature were found to be those in which the OH-dissociated methanol molecule forms O-Ge bonds. with the methoxy group either parallel or perpendicular to the Ge surface. The spatial arrangement of methoxy group relative to the Ge(1 0 0) surface is not critical. The dissociated H is bonded to an adjacent up-Ge atom, passivating the dangling bond. The possibility of H diffusion to other Ge atoms is also investigated. The corresponding simulated images explain well the adsorption features observed experimentally. The reaction pathways explain the feasibility of OH-dissociative structures at room temperature. The two OH-dissociative configurations where methoxy groups are either parallel or perpendicular to Ge surfaces are similar in thermodynamic and kinetic aspects. (C) 2009 Published by Elsevier B.V. | - |
dc.language | English | - |
dc.publisher | ELSEVIER SCIENCE BV | - |
dc.subject | SCANNING TUNNELING MICROSCOPE | - |
dc.subject | SI(100)-2 X-1 SURFACE | - |
dc.subject | ADSORPTION | - |
dc.subject | SILICON | - |
dc.subject | DECOMPOSITION | - |
dc.subject | PYRIDINE | - |
dc.subject | ACID | - |
dc.title | Atomic and electronic structure of methanol on Ge(100) | - |
dc.type | Article | - |
dc.identifier.wosid | 000274591000011 | - |
dc.identifier.scopusid | 2-s2.0-72649103804 | - |
dc.type.rims | ART | - |
dc.citation.volume | 604 | - |
dc.citation.issue | 2 | - |
dc.citation.beginningpage | 129 | - |
dc.citation.endingpage | 135 | - |
dc.citation.publicationname | SURFACE SCIENCE | - |
dc.identifier.doi | 10.1016/j.susc.2009.10.030 | - |
dc.contributor.localauthor | Kim, Sehun | - |
dc.contributor.nonIdAuthor | Kim, DH | - |
dc.contributor.nonIdAuthor | Hong, S | - |
dc.type.journalArticle | Article | - |
dc.subject.keywordAuthor | Methanol | - |
dc.subject.keywordAuthor | Ge(100) | - |
dc.subject.keywordAuthor | Adsorption | - |
dc.subject.keywordAuthor | DFT calculations | - |
dc.subject.keywordAuthor | STM | - |
dc.subject.keywordPlus | SCANNING TUNNELING MICROSCOPE | - |
dc.subject.keywordPlus | SI(100)-2 X-1 SURFACE | - |
dc.subject.keywordPlus | ADSORPTION | - |
dc.subject.keywordPlus | SILICON | - |
dc.subject.keywordPlus | DECOMPOSITION | - |
dc.subject.keywordPlus | PYRIDINE | - |
dc.subject.keywordPlus | ACID | - |
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