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Please use this identifier to cite or link to this item: https://doi.org/10.1186/1556-276X-6-97
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dc.titleMetal-functionalized single-walled graphiticcarbon nitride nanotubes: A first-principles study on magnetic property
dc.contributor.authorPan, H.P
dc.contributor.authorZhang, Y.-W
dc.contributor.authorShenoy, V.B
dc.contributor.authorGao, H
dc.date.accessioned2020-11-10T00:41:18Z
dc.date.available2020-11-10T00:41:18Z
dc.date.issued2011
dc.identifier.citationPan, H.P, Zhang, Y.-W, Shenoy, V.B, Gao, H (2011). Metal-functionalized single-walled graphiticcarbon nitride nanotubes: A first-principles study on magnetic property. Nanoscale Research Letters 6 (1) : X1-7. ScholarBank@NUS Repository. https://doi.org/10.1186/1556-276X-6-97
dc.identifier.issn19317573
dc.identifier.urihttps://scholarbank.nus.edu.sg/handle/10635/183261
dc.description.abstractThe magnetic properties of metal-functionalized graphitic carbon nitride nanotubes were investigated based on first-principles calculations. The graphitic carbon nitride nanotube can be either ferromagnetic or antiferromagnetic by functionalizing with different metal atoms. The W- and Ti-functionalized nanotubes are ferromagnetic, which are attributed to carrier-mediated interactions because of the coupling between the spin-polarized d and p electrons and the formation of the impurity bands close to the band edges. However, Cr-, Mn-, Co-, and Ni-functionalized nanotubes are antiferromagnetic because of the anti-alignment of the magnetic moments between neighboring metal atoms. The functionalized nanotubes may be used in spintronics and hydrogen storage. © 2011 Pan et al.
dc.rightsAttribution 4.0 International
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/
dc.sourceUnpaywall 20201031
dc.subjectAntiferromagnetism
dc.subjectCalculations
dc.subjectCarbon nitride
dc.subjectFerromagnetic materials
dc.subjectFerromagnetism
dc.subjectHydrogen storage
dc.subjectMagnetic moments
dc.subjectMagnetic properties
dc.subjectMetals
dc.subjectNitrides
dc.subjectAntiferromagnetic materials
dc.subjectAntiferromagnetism
dc.subjectCalculations
dc.subjectCarbon
dc.subjectCarbon nitride
dc.subjectChromium
dc.subjectFerromagnetic materials
dc.subjectFerromagnetism
dc.subjectHydrogen
dc.subjectHydrogen storage
dc.subjectMagnetic moments
dc.subjectMagnetic properties
dc.subjectManganese
dc.subjectMetals
dc.subjectNanotubes
dc.subjectAntiferromagnetics
dc.subjectCarrier-mediated
dc.subjectFirst-principles calculation
dc.subjectFirst-principles study
dc.subjectFunctionalized nanotubes
dc.subjectGraphitic carbon nitrides
dc.subjectImpurity bands
dc.subjectSpin-polarized
dc.subjectAntiferromagnetics
dc.subjectBand edge
dc.subjectFirst-principles calculation
dc.subjectFirst-principles study
dc.subjectFunctionalized nanotubes
dc.subjectGraphitic carbons
dc.subjectImpurity bands
dc.subjectMetal atoms
dc.subjectSingle-walled
dc.subjectSpin-polarized
dc.subjectNanotubes
dc.subjectSingle-walled carbon nanotubes (SWCN)
dc.typeArticle
dc.contributor.departmentMATERIALS SCIENCE AND ENGINEERING
dc.description.doi10.1186/1556-276X-6-97
dc.description.sourcetitleNanoscale Research Letters
dc.description.volume6
dc.description.issue1
dc.description.pageX1-7
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