Theoretical Studies of Substitutionally Doped Single-Walled Nanotubes

Theoretical Studies of Substitutionally Doped Single-Walled Nanotubes

The rich chemistry of single-walled carbon nanotubes (SWCNTs) is enhanced by substitutional doping, a process in which a single atom of the nanotube sidewall is replaced by a heteroatom. These so-called heteroatom-substituted SWCNTs (HSWCNTs) exhibit unique chemical and physical properties not obser...

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Main Authors: Charles See Yeung, Ya Kun Chen, Yan Alexander Wang
Format: Article
Language:English
Published: Hindawi Limited 2010-01-01
Series:Journal of Nanotechnology
Online Access:http://dx.doi.org/10.1155/2010/801789
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spelling doaj-e790fb37b98f4ba6b968f69b68c87a8b2020-11-24T22:44:10ZengHindawi LimitedJournal of Nanotechnology1687-95031687-95112010-01-01201010.1155/2010/801789801789Theoretical Studies of Substitutionally Doped Single-Walled NanotubesCharles See Yeung0Ya Kun Chen1Yan Alexander Wang2Department of Chemistry, University of British Columbia, Vancouver, BC, V6T 1Z1, CanadaDepartment of Chemistry, University of British Columbia, Vancouver, BC, V6T 1Z1, CanadaDepartment of Chemistry, University of British Columbia, Vancouver, BC, V6T 1Z1, CanadaThe rich chemistry of single-walled carbon nanotubes (SWCNTs) is enhanced by substitutional doping, a process in which a single atom of the nanotube sidewall is replaced by a heteroatom. These so-called heteroatom-substituted SWCNTs (HSWCNTs) exhibit unique chemical and physical properties not observed in their corresponding undoped congeners. Herein, we present theoretical studies of both main group element and transition metal-doped HSWCNTs. Within density functional theory (DFT), we discuss mechanistic details of their proposed synthesis from vacancy-defected SWCNTs and describe their geometric and electronic properties. Additionally, we propose applications for these nanomaterials in nanosensing, nanoelectronics, and nanocatalysis.http://dx.doi.org/10.1155/2010/801789
collection DOAJ
language English
format Article
sources DOAJ
author Charles See Yeung
Ya Kun Chen
Yan Alexander Wang
spellingShingle Charles See Yeung
Ya Kun Chen
Yan Alexander Wang
Theoretical Studies of Substitutionally Doped Single-Walled Nanotubes
Journal of Nanotechnology
author_facet Charles See Yeung
Ya Kun Chen
Yan Alexander Wang
author_sort Charles See Yeung
title Theoretical Studies of Substitutionally Doped Single-Walled Nanotubes
title_short Theoretical Studies of Substitutionally Doped Single-Walled Nanotubes
title_full Theoretical Studies of Substitutionally Doped Single-Walled Nanotubes
title_fullStr Theoretical Studies of Substitutionally Doped Single-Walled Nanotubes
title_full_unstemmed Theoretical Studies of Substitutionally Doped Single-Walled Nanotubes
title_sort theoretical studies of substitutionally doped single-walled nanotubes
publisher Hindawi Limited
series Journal of Nanotechnology
issn 1687-9503
1687-9511
publishDate 2010-01-01
description The rich chemistry of single-walled carbon nanotubes (SWCNTs) is enhanced by substitutional doping, a process in which a single atom of the nanotube sidewall is replaced by a heteroatom. These so-called heteroatom-substituted SWCNTs (HSWCNTs) exhibit unique chemical and physical properties not observed in their corresponding undoped congeners. Herein, we present theoretical studies of both main group element and transition metal-doped HSWCNTs. Within density functional theory (DFT), we discuss mechanistic details of their proposed synthesis from vacancy-defected SWCNTs and describe their geometric and electronic properties. Additionally, we propose applications for these nanomaterials in nanosensing, nanoelectronics, and nanocatalysis.
url http://dx.doi.org/10.1155/2010/801789
work_keys_str_mv AT charlesseeyeung theoreticalstudiesofsubstitutionallydopedsinglewallednanotubes
AT yakunchen theoreticalstudiesofsubstitutionallydopedsinglewallednanotubes
AT yanalexanderwang theoreticalstudiesofsubstitutionallydopedsinglewallednanotubes
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