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...
Saved in:
| Main Authors: | , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Wiley
2010-01-01
|
| Series: | Journal of Nanotechnology |
| Online Access: | http://dx.doi.org/10.1155/2010/801789 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1832549828756766720 |
|---|---|
| author | Charles See Yeung Ya Kun Chen Yan Alexander Wang |
| author_facet | Charles See Yeung Ya Kun Chen Yan Alexander Wang |
| author_sort | Charles See Yeung |
| collection | DOAJ |
| 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. |
| format | Article |
| id | doaj-art-e790fb37b98f4ba6b968f69b68c87a8b |
| institution | Kabale University |
| issn | 1687-9503 1687-9511 |
| language | English |
| publishDate | 2010-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | Journal of Nanotechnology |
| spelling | doaj-art-e790fb37b98f4ba6b968f69b68c87a8b2025-02-03T06:08:36ZengWileyJournal 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 |
| spellingShingle | Charles See Yeung Ya Kun Chen Yan Alexander Wang Theoretical Studies of Substitutionally Doped Single-Walled Nanotubes Journal of Nanotechnology |
| title | 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_short | Theoretical Studies of Substitutionally Doped Single-Walled Nanotubes |
| title_sort | theoretical studies of substitutionally doped single walled nanotubes |
| url | http://dx.doi.org/10.1155/2010/801789 |
| work_keys_str_mv | AT charlesseeyeung theoreticalstudiesofsubstitutionallydopedsinglewallednanotubes AT yakunchen theoreticalstudiesofsubstitutionallydopedsinglewallednanotubes AT yanalexanderwang theoreticalstudiesofsubstitutionallydopedsinglewallednanotubes |