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https://doi.org/10.1166/jctn.2008.1125
| Title: | Magnetic property of OH-functionalized single-wall carbon nanotubes | Authors: | Pan, H. Feng, Y.P. Lin, J. |
Keywords: | First-principles calculations Magnetic properties OH-functionalized carbon nanotubes |
Issue Date: | Nov-2008 | Citation: | Pan, H., Feng, Y.P., Lin, J. (2008-11). Magnetic property of OH-functionalized single-wall carbon nanotubes. Journal of Computational and Theoretical Nanoscience 5 (11) : 2233-2237. ScholarBank@NUS Repository. https://doi.org/10.1166/jctn.2008.1125 | Abstract: | The ab initio spin density functional theory is applied to study the magnetism of OH-functionalized single-wall carbon nanotube (SWCNT). It is noticed the particular systems, where the two functional OH group are close to each other, carry a net magnetic moment in the ground state, which increases with the decrease of the tube-tube distance. The possible mechanism for the magnetism of OH-functionalized SWCNT is the electron-electron interactions induced by the flat bands near the Fermi level. Copyright © 2008 American Scientific Publishers All rights reserved. | Source Title: | Journal of Computational and Theoretical Nanoscience | URI: | http://scholarbank.nus.edu.sg/handle/10635/97126 | ISSN: | 15461955 | DOI: | 10.1166/jctn.2008.1125 |
| Appears in Collections: | Staff Publications |
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