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https://doi.org/10.1186/1556-276X-6-97
Title: | Metal-functionalized single-walled graphiticcarbon nitride nanotubes: A first-principles study on magnetic property | Authors: | Pan, H.P Zhang, Y.-W Shenoy, V.B Gao, H |
Keywords: | Antiferromagnetism Calculations Carbon nitride Ferromagnetic materials Ferromagnetism Hydrogen storage Magnetic moments Magnetic properties Metals Nitrides Antiferromagnetic materials Antiferromagnetism Calculations Carbon Carbon nitride Chromium Ferromagnetic materials Ferromagnetism Hydrogen Hydrogen storage Magnetic moments Magnetic properties Manganese Metals Nanotubes Antiferromagnetics Carrier-mediated First-principles calculation First-principles study Functionalized nanotubes Graphitic carbon nitrides Impurity bands Spin-polarized Antiferromagnetics Band edge First-principles calculation First-principles study Functionalized nanotubes Graphitic carbons Impurity bands Metal atoms Single-walled Spin-polarized Nanotubes Single-walled carbon nanotubes (SWCN) |
Issue Date: | 2011 | Citation: | Pan, 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 | Rights: | Attribution 4.0 International | Abstract: | The 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. | Source Title: | Nanoscale Research Letters | URI: | https://scholarbank.nus.edu.sg/handle/10635/183261 | ISSN: | 19317573 | DOI: | 10.1186/1556-276X-6-97 | Rights: | Attribution 4.0 International |
Appears in Collections: | Staff Publications Elements |
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