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Sque, S. J., Ewels, C. P., Jones, R. & Briddon, P. R. (2007) Modelling the effect of doping metallic carbon nanotubes on their ability to transfer-dope diamond. Phys. Status Solidi A-Appl. Mat. 204 2898–2902.
Added by: Laurent Cournède (2016-03-10 22:02:29) |
| Type de référence: Article DOI: 10.1002/pssa.200776308 Numéro d'identification (ISBN etc.): 1862-6300 Clé BibTeX: Sque2007 Voir tous les détails bibliographiques  |
Catégories: PMN Mots-clés: c-60, films, hydrogen-terminated diamond, mechanism, surface conductive layer Créateurs: Briddon, Ewels, Jones, Sque Collection: Phys. Status Solidi A-Appl. Mat. |
Consultations : 1/510
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| Résumé |
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Previous theoretical work indicates that carbon nanotubes (CNTs) may, like C(60) and C(60)F(x), act as transfer dopants for diamond; that is, they are capable of extracting electrons from a hydrogen-terminated diamond substrate, effectively doping the near-surface region of the diamond p-type. In the present study, the effect of functionalising/doping the CNTs on their electron-extraction efficiency has been investigated, using ab-initio density-functional theory. Pristine, fluorine-doped, and potassium-doped (8,8) CNTs have been modelled both in isolation and lying prone on the (001)-(2 x 1): H surface of diamond. The total energies of the relaxed systems suggest that the CNTs are positively bound to the diamond substrate, while the structures and charge densities indicate that only physisorption has occurred. The electronic band structures are indicative of an enhanced electron transfer following fluorination of the CNT, while potassium doping of the CNT has destroyed the transfer-doping effect. (C) 2007 WILEY-VCH Verlag GmbH \& Co. KGaA, Weinheim.
Added by: Laurent Cournède |