Effects of hydrogen adsorption on single-wall carbon nanotubes: metallic hydrogen decoration

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buir.contributor.authorÇıracı, Salim
buir.contributor.orcidÇıracı, Salim|0000-0001-8023-9860
dc.citation.epage121401-4en_US
dc.citation.issueNumber12en_US
dc.citation.spage121401-1en_US
dc.citation.volumeNumber66en_US
dc.contributor.authorGülseren, O.en_US
dc.contributor.authorYildirim, T.en_US
dc.contributor.authorÇıracı, Salimen_US
dc.date.accessioned2019-02-07T06:12:02Z
dc.date.available2019-02-07T06:12:02Z
dc.date.issued2002en_US
dc.departmentDepartment of Physicsen_US
dc.description.abstractWe show that the electronic and atomic structure of carbon nanotubes undergo dramatic changes with hydrogen chemisorption from first principle calculations. Upon uniform exohydrogenation at half coverage, the cross sections of zigzag nanotubes become literally square or rectangular, and they are metallic with very high density of states at the Fermi level, while other isomers can be insulating. For both zigzag and armchair nanotubes, hydrogenation of each carbon atom from inside and outside alternatively yield the most stable isomer with a very weak curvature dependence and a large band gap.en_US
dc.identifier.doi10.1103/PhysRevB.66.121401en_US
dc.identifier.issn0163-1829
dc.identifier.urihttp://hdl.handle.net/11693/48980
dc.language.isoEnglishen_US
dc.publisherAmerican Physical Societyen_US
dc.relation.isversionofhttp://doi.org/10.1103/PhysRevB.66.121401en_US
dc.source.titlePhysical Review Ben_US
dc.titleEffects of hydrogen adsorption on single-wall carbon nanotubes: metallic hydrogen decorationen_US
dc.typeArticleen_US

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