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. Attached Files Name Description MIMEType Size Downloads Title Magnetism of C adatoms on BN nanostructures : implications for functional nanodevices Author(s) Li, Jia Zhou, Gang Chen, Ying orcid.org/0000-0002-7322-2224 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 1520-5126 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 Persistent URL http://hdl.handle.net/10536/DRO/DU:30029243 Document type: Journal Article Collections: Institute for Technology Research and Innovation GTP Research Related Links Link Description Connect to published version (restricted access) Go to link with your DU access privileges     Unless expressly stated otherwise, the copyright for items in DRO is owned by the author, with all rights reserved. Versions Version Filter Type Fri, 11 Jun 2010, 12:06:16 EST Fri, 11 Jun 2010, 12:06:49 EST Mon, 14 Jun 2010, 08:29:30 EST Mon, 14 Jun 2010, 14:23:04 EST Mon, 14 Jun 2010, 14:24:42 EST Mon, 14 Jun 2010, 14:25:59 EST Mon, 14 Jun 2010, 14:28:11 EST Mon, 21 Jun 2010, 09:29:26 EST Mon, 16 Jun 2014, 16:02:03 EST Thu, 11 Dec 2014, 16:39:53 EST Filtered Full Citation counts:   Cited 84 times in TR Web of Science Cited 84 times in Scopus Search Google Scholar Access Statistics: 943 Abstract Views, 3 File Downloads  -  Detailed Statistics Created: Fri, 11 Jun 2010, 12:06:15 EST