DC Field | Value | Language |
---|---|---|
dc.contributor.author | Kim, DH | ko |
dc.contributor.author | Choi, DS | ko |
dc.contributor.author | Hong, S | ko |
dc.contributor.author | Kim, Sehun | ko |
dc.date.accessioned | 2009-09-21T05:23:15Z | - |
dc.date.available | 2009-09-21T05:23:15Z | - |
dc.date.created | 2012-02-06 | - |
dc.date.created | 2012-02-06 | - |
dc.date.issued | 2008-05 | - |
dc.identifier.citation | JOURNAL OF PHYSICAL CHEMISTRY C, v.112, no.19, pp.7412 - 7419 | - |
dc.identifier.issn | 1932-7447 | - |
dc.identifier.uri | http://hdl.handle.net/10203/11364 | - |
dc.description.abstract | We have performed ab initio pseudopotential density-functional calculations for pyrrole adsorbed on the Ge(100) surface in order to investigate its atomic and electronic structure. A large number of the pyrrole/Ge(100) adsorption configurations that could result from cycloadditions and Lewis acid-base reactions were examined. The configuration with both Ge-N and Ge-C linkages was found to be the most stable. The Ge-N linkage is formed by dative bonding after N-H dissociation, and the Ge-C linkage is a weak chemical interaction leading to the loss of aromaticity from the pyrrole ring. The pyrrole molecule bridges two down-Ge atoms in adjacent Ge dimer rows. This configuration was used to explain the experimental scanning tunneling microscopy (STM) images. | - |
dc.description.sponsorship | This research was supported by the Brain Korea 21 Project, the SRC program (Center for Nanotubes and Nanostructured Composites) of MOST/KOSEF, and Korea Research Foundation Grant KRF-2005-070-C00063. | en |
dc.language | English | - |
dc.language.iso | en_US | en |
dc.publisher | AMER CHEMICAL SOC | - |
dc.subject | ADSORPTION | - |
dc.subject | SILICON | - |
dc.subject | AROMATICITY | - |
dc.subject | PYRIDINE | - |
dc.title | Atomic and electronic structure of pyrrole on Ge(100) | - |
dc.type | Article | - |
dc.identifier.wosid | 000255649500015 | - |
dc.identifier.scopusid | 2-s2.0-53549090715 | - |
dc.type.rims | ART | - |
dc.citation.volume | 112 | - |
dc.citation.issue | 19 | - |
dc.citation.beginningpage | 7412 | - |
dc.citation.endingpage | 7419 | - |
dc.citation.publicationname | JOURNAL OF PHYSICAL CHEMISTRY C | - |
dc.identifier.doi | 10.1021/jp709740n | - |
dc.embargo.liftdate | 9999-12-31 | - |
dc.embargo.terms | 9999-12-31 | - |
dc.contributor.localauthor | Kim, Sehun | - |
dc.contributor.nonIdAuthor | Hong, S | - |
dc.type.journalArticle | Article | - |
dc.subject.keywordPlus | ADSORPTION | - |
dc.subject.keywordPlus | SILICON | - |
dc.subject.keywordPlus | AROMATICITY | - |
dc.subject.keywordPlus | PYRIDINE | - |
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