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Metal-functionalized single-walled graphitic carbon nitride nanotubes: a first-principles study on magnetic property

Pan, Hui and Zhang, Yong-Wei and Shenoy, Vivek B and Gao, Huajian (2011) Metal-functionalized single-walled graphitic carbon nitride nanotubes: a first-principles study on magnetic property. Nanoscale Research Letters, 6 (1). pp. 1-7.

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Official URL: http://www.nanoscalereslett.com/content/6/1/97

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.

Item Type:Article
Subjects:Physical Science > Nanophysics
Physical Science > Nano objects
Material Science > Nanochemistry
Material Science > Nanostructured materials
Divisions:Faculty of Engineering, Science and Mathematics > School of Physics
Faculty of Engineering, Science and Mathematics > School of Chemistry
ID Code:10876
Deposited By:JNCASR
Deposited On:19 Oct 2011 07:11
Last Modified:19 Oct 2011 07:11

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