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Metal-functionalized single-walled graphitic carbon nitride nanotubes: a first-principles study on magnetic property
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-functionali...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Springer
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3212247/ https://www.ncbi.nlm.nih.gov/pubmed/21711614 http://dx.doi.org/10.1186/1556-276X-6-97 |
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author | Pan, Hui Zhang, Yong-Wei Shenoy, Vivek B Gao, Huajian |
author_facet | Pan, Hui Zhang, Yong-Wei Shenoy, Vivek B Gao, Huajian |
author_sort | Pan, Hui |
collection | PubMed |
description | 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. |
format | Online Article Text |
id | pubmed-3212247 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | Springer |
record_format | MEDLINE/PubMed |
spelling | pubmed-32122472011-11-09 Metal-functionalized single-walled graphitic carbon nitride nanotubes: a first-principles study on magnetic property Pan, Hui Zhang, Yong-Wei Shenoy, Vivek B Gao, Huajian Nanoscale Res Lett Nano Express 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. Springer 2011-01-19 /pmc/articles/PMC3212247/ /pubmed/21711614 http://dx.doi.org/10.1186/1556-276X-6-97 Text en Copyright ©2011 Pan et al; licensee Springer. http://creativecommons.org/licenses/by/2.0 This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/2.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. |
spellingShingle | Nano Express Pan, Hui Zhang, Yong-Wei Shenoy, Vivek B Gao, Huajian Metal-functionalized single-walled graphitic carbon nitride nanotubes: a first-principles study on magnetic property |
title | Metal-functionalized single-walled graphitic carbon nitride nanotubes: a first-principles study on magnetic property |
title_full | Metal-functionalized single-walled graphitic carbon nitride nanotubes: a first-principles study on magnetic property |
title_fullStr | Metal-functionalized single-walled graphitic carbon nitride nanotubes: a first-principles study on magnetic property |
title_full_unstemmed | Metal-functionalized single-walled graphitic carbon nitride nanotubes: a first-principles study on magnetic property |
title_short | Metal-functionalized single-walled graphitic carbon nitride nanotubes: a first-principles study on magnetic property |
title_sort | metal-functionalized single-walled graphitic carbon nitride nanotubes: a first-principles study on magnetic property |
topic | Nano Express |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3212247/ https://www.ncbi.nlm.nih.gov/pubmed/21711614 http://dx.doi.org/10.1186/1556-276X-6-97 |
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