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dc.contributor.authorYildirim, T.en_US
dc.contributor.authorÇıracı, Salimen_US
dc.date.accessioned2016-02-08T10:23:28Z
dc.date.available2016-02-08T10:23:28Z
dc.date.issued2005en_US
dc.identifier.issn0031-9007
dc.identifier.urihttp://hdl.handle.net/11693/24060
dc.description.abstractWe report a first-principles study, which demonstrates that a single Ti atom coated on a single-walled nanotube (SWNT) binds up to four hydrogen molecules. The first H2 adsorption is dissociative with no energy barrier while the other three adsorptions are molecular with significantly elongated H-H bonds. At high Ti coverage we show that a SWNT can strongly adsorb up to 8 wt% hydrogen. These results advance our fundamental understanding of dissociative adsorption of hydrogen in nanostructures and suggest new routes to better storage and catalyst materials.en_US
dc.language.isoEnglishen_US
dc.source.titlePhysical Review Lettersen_US
dc.relation.isversionofhttp://dx.doi.org/10.1103/PhysRevLett.94.175501en_US
dc.subjectHigh-capacityen_US
dc.subjectHydrogen storage mediumen_US
dc.subjectSingle-walled nanotubeen_US
dc.subjectTitanium-decorateden_US
dc.subjectAdsorptionen_US
dc.subjectCatalystsen_US
dc.subjectHydrogenen_US
dc.subjectMoleculesen_US
dc.subjectTitaniumen_US
dc.subjectCarbon nanotubesen_US
dc.titleTitanium-decorated carbon nanotubes as a potential high-capacity hydrogen storage mediumen_US
dc.typeArticleen_US
dc.departmentDepartment of Physicsen_US
dc.citation.spage175501-1en_US
dc.citation.epage175501-4en_US
dc.citation.volumeNumber94en_US
dc.citation.issueNumber17en_US
dc.identifier.doi10.1103/PhysRevLett.94.175501en_US
dc.publisherAmerican Physical Societyen_US
dc.contributor.bilkentauthorÇıracı, Salim


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