DC Field | Value | Language |
---|---|---|
dc.contributor.author | Kim, DH | ko |
dc.contributor.author | Hwang, E | ko |
dc.contributor.author | Hong, S | ko |
dc.contributor.author | Kim, Sehun | ko |
dc.date.accessioned | 2009-09-21T02:48:37Z | - |
dc.date.available | 2009-09-21T02:48:37Z | - |
dc.date.created | 2012-02-06 | - |
dc.date.created | 2012-02-06 | - |
dc.date.issued | 2006-09 | - |
dc.identifier.citation | SURFACE SCIENCE, v.600, no.18, pp.3629 - 3632 | - |
dc.identifier.issn | 0039-6028 | - |
dc.identifier.uri | http://hdl.handle.net/10203/11353 | - |
dc.description.abstract | We have performed ab initio density-functional theory (DFT) calculations in order to investigate the atomic and electronic structure of acetic acid adsorbed on Ge(100) surface. Due to its acidity, acetic acid dissociates and the resulting electron-rich acetate group reacts with the electron-deficient down-Ge atom through nucleophilic addition (mono-dentate structure). Further reaction between the electron-rich up-Ge atom and the carboxylic oxygen atom results in bidentate bridged structures, which are energetically most favorable among the tested geometries. The existence of the dissociated H atom on the neighboring Ge atoms and the buckling of Ge dimers are found to affect the feasibility of the formation of bidentate structures. We obtain the simulated STM images from the optimized adsorption geometries for most favorable structures. Theoretical STM images for on-top bidentate structures show characteristic features having on-top protrusions, while those for end-bridged structures show protrusions localized at one side of a dimer row. (c) 2006 Elsevier B.V. All rights reserved. | - |
dc.description.sponsorship | KOSEF through the Center for Nanotubes and Nanostructured Composites, the Brain Korea 21 Project, and the National R&D Project for Nano Science and Technology. | en |
dc.language | English | - |
dc.language.iso | en_US | en |
dc.publisher | ELSEVIER SCIENCE BV | - |
dc.subject | SCANNING TUNNELING MICROSCOPE | - |
dc.subject | BENZOIC-ACID | - |
dc.subject | ADSORPTION | - |
dc.subject | SI(100) | - |
dc.title | Atomic and electronic structure of acetic acid on Ge(100) | - |
dc.type | Article | - |
dc.identifier.wosid | 000241450600024 | - |
dc.identifier.scopusid | 2-s2.0-33749149857 | - |
dc.type.rims | ART | - |
dc.citation.volume | 600 | - |
dc.citation.issue | 18 | - |
dc.citation.beginningpage | 3629 | - |
dc.citation.endingpage | 3632 | - |
dc.citation.publicationname | SURFACE SCIENCE | - |
dc.embargo.liftdate | 9999-12-31 | - |
dc.embargo.terms | 9999-12-31 | - |
dc.contributor.localauthor | Kim, Sehun | - |
dc.contributor.nonIdAuthor | Kim, DH | - |
dc.contributor.nonIdAuthor | Hwang, E | - |
dc.contributor.nonIdAuthor | Hong, S | - |
dc.type.journalArticle | Article; Proceedings Paper | - |
dc.subject.keywordAuthor | density-functional theory calculations | - |
dc.subject.keywordAuthor | germanium | - |
dc.subject.keywordAuthor | acetic acid | - |
dc.subject.keywordAuthor | chemisorption | - |
dc.subject.keywordAuthor | Ge(100) | - |
dc.subject.keywordAuthor | atomic and electronic structure | - |
dc.subject.keywordPlus | SCANNING TUNNELING MICROSCOPE | - |
dc.subject.keywordPlus | BENZOIC-ACID | - |
dc.subject.keywordPlus | ADSORPTION | - |
dc.subject.keywordPlus | SI(100) | - |
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