Magnetism of C adatoms on BN nanostructures : implications for functional nanodevices

Li, Jia, Zhou, Gang, Chen, Ying, Gu, Bing-Lin and Duan, Wenhui 2009, Magnetism of C adatoms on BN nanostructures : implications for functional nanodevices, Journal of the american chemical society, vol. 131, no. 5, pp. 1796-1801, doi: 10.1021/ja805632p.

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Title Magnetism of C adatoms on BN nanostructures : implications for functional nanodevices
Author(s) Li, Jia
Zhou, Gang
Chen, YingORCID iD for Chen, Ying
Gu, Bing-Lin
Duan, Wenhui
Journal name Journal of the american chemical society
Volume number 131
Issue number 5
Start page 1796
End page 1801
Total pages 6
Publisher American Chemical Society
Place of publication Washington, DC
Publication date 2009-02-11
ISSN 0002-7863
Summary Spin-polarized density functional calculations reveal that magnetism can be induced by carbon adatoms on boron nitride nanotubes (BNNTs) and BN hexagonal sheets. As a result of the localization of impurity states, these hybrid sp-electron systems are spin-polarized, with a local magnetic moment of 2.0 μB per C adatom regardless of the tube diameter and the bonding between the C atom and the BNNTs/BN sheets. An analysis of orbital hybridization indicates that two valence electrons participate in the bonding and the remaining two electrons of the C adatom are confined at the adsorption site and contribute to the magnetism accordingly. The effective interaction distance between the C-induced magnetic moments is evaluated. In terms of the diffusion barrier and the adsorption energy of C adatoms on the BN nanotubes/ sheets, a fabrication method for BN-C-based functional nanodevices is proposed, and a series of virtual building blocks for functional devices are illustrated.
Language eng
DOI 10.1021/ja805632p
Field of Research 100708 Nanomaterials
Socio Economic Objective 970110 Expanding Knowledge in Technology
HERDC Research category C1.1 Refereed article in a scholarly journal
Copyright notice ©2009, American Chemical Society
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Document type: Journal Article
Collection: Institute for Technology Research and Innovation
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