A comparative study of O2 adsorbed carbon nanotubes

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buir.contributor.authorÇıracı, Salim
buir.contributor.orcidÇıracı, Salim|0000-0001-8023-9860
dc.citation.epage5en_US
dc.citation.issueNumber1-2en_US
dc.citation.spage1en_US
dc.citation.volumeNumber380en_US
dc.contributor.authorDag, S.en_US
dc.contributor.authorGülseren, O.en_US
dc.contributor.authorÇıracı, Salimen_US
dc.date.accessioned2016-02-08T10:29:08Z
dc.date.available2016-02-08T10:29:08Z
dc.date.issued2003en_US
dc.departmentDepartment of Physicsen_US
dc.description.abstractFirst-principles, density functional calculations show that O2 adsorbed single-wall carbon nanotubes (SWNT) show dramatic differences depending on the type of the tube. Upon O2 physisorption, the zig-zag SWNT remains semiconducting, while the metallicity of the armchair is lifted for the spin-down bands. The spin-up bands continue to cross at the Fermi level, and make the system metallic only for one type of spin. The singlet bound state of O2 occurs at the bridge site of the (6,6) SWNT at small distance from the surface of the tube. However, for the hollow site, the molecule dissociates when it comes close to the surface. © 2003 Elsevier B.V. All rights reserved.en_US
dc.identifier.doi10.1016/j.cplett.2003.08.048en_US
dc.identifier.issn0009-2614
dc.identifier.urihttp://hdl.handle.net/11693/24421
dc.language.isoEnglishen_US
dc.relation.isversionofhttp://dx.doi.org/10.1016/j.cplett.2003.08.048en_US
dc.source.titleChemical Physics Lettersen_US
dc.subjectCarbonen_US
dc.subjectOxygenen_US
dc.subjectAdsorptionen_US
dc.subjectCalculationen_US
dc.subjectChemical analysisen_US
dc.subjectComparative studyen_US
dc.subjectNanotechnologyen_US
dc.subjectPhysical chemistryen_US
dc.subjectTubeen_US
dc.titleA comparative study of O2 adsorbed carbon nanotubesen_US
dc.typeArticleen_US

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