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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