Systematic study of adsorption of single atoms on a carbon nanotube

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buir.contributor.authorÇıracı, Salim
buir.contributor.authorDurgun, Engin
buir.contributor.orcidÇıracı, Salim|0000-0001-8023-9860
dc.citation.epage201401-4en_US
dc.citation.issueNumber20en_US
dc.citation.spage201401-1en_US
dc.citation.volumeNumber67en_US
dc.contributor.authorDurgun, Enginen_US
dc.contributor.authorDag, S.en_US
dc.contributor.authorBagci, V. M. K.en_US
dc.contributor.authorGülseren, O.en_US
dc.contributor.authorYildirim, T.en_US
dc.contributor.authorÇıracı, Salimen_US
dc.date.accessioned2016-02-08T10:30:09Z
dc.date.available2016-02-08T10:30:09Z
dc.date.issued2003en_US
dc.departmentDepartment of Physicsen_US
dc.description.abstractWe studied the adsorption of single atoms on a semiconducting and metallic single-wall carbon nanotube from first principles for a large number of foreign atoms. The stable adsorption sites, binding energy, and the resulting electronic properties are analyzed. The character of the bonding and associated physical properties exhibit dramatic variations depending on the type of the adsorbed atom. While the atoms of good conducting metals, such as Cu and Au, form very weak bonding, atoms such as Ti, Sc, Nb, and Ta are adsorbed with relatively high binding energy. Most of the adsorbed transition-metal atoms excluding Ni, Pd, and Pt have a magnetic ground state with a significant magnetic moment. Our results suggest that carbon nanotubes can be functionalized in different ways by their coverage with different atoms, showing interesting applications such as one-dimensional nanomagnets or nanoconductors and conducting connects, etc.en_US
dc.identifier.issn0163-1829
dc.identifier.urihttp://hdl.handle.net/11693/24488
dc.language.isoEnglishen_US
dc.publisherAmerican Physical Societyen_US
dc.source.titlePhysical Review B - Condensed Matter and Materials Physicsen_US
dc.subjectCarbonen_US
dc.subjectGolden_US
dc.subjectMetal complexen_US
dc.subjectNeodymiumen_US
dc.subjectNickelen_US
dc.subjectPlatinumen_US
dc.subjectScandiumen_US
dc.subjectTitaniumen_US
dc.subjectAdsorptionen_US
dc.subjectArticleen_US
dc.subjectChemical bonden_US
dc.subjectConductanceen_US
dc.subjectElectronicsen_US
dc.subjectEnergyen_US
dc.subjectMagneten_US
dc.subjectMetal bindingen_US
dc.subjectNanotechnologyen_US
dc.subjectSemiconductoren_US
dc.subjectTubeen_US
dc.titleSystematic study of adsorption of single atoms on a carbon nanotubeen_US
dc.typeArticleen_US

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