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Theoretical study on the adsorption of armchair carbon nanotubes on the hydrogenated surface of diamond
School of Physics, University of Exeter.
School of Physics, University of Exeter.
Luleå University of Technology, Department of Engineering Sciences and Mathematics, Mathematical Science.ORCID iD: 0000-0002-0292-1159
School of Natural Science, University of Newcastle upon Tyne.
2006 (English)In: Physica Status Solidi (a) applications and materials science, ISSN 1862-6300, E-ISSN 1862-6319, Vol. 203, no 12, p. 3107-3113Article in journal (Refereed) Published
Abstract [en]

First-principles density-functional theory has been used to investigate the interaction of (metallic) (7,7) carbon nanotubes with the hydrogenated (001) surface of diamond. There is no evidence for a significant chemical interaction between the nanotubes and the diamond surface, although an appreciable binding energy is obtained. The corresponding electronic band structures are indicative of moderate electron transfer from the diamond substrate to the nanotube, which would in practice leave behind a mobile layer of holes. These results suggest that carbon nanotubes may, like buckminsterfullerene, act as suitable p-type transfer dopants for diamond.

Place, publisher, year, edition, pages
2006. Vol. 203, no 12, p. 3107-3113
National Category
Computational Mathematics
Research subject
Scientific Computing
Identifiers
URN: urn:nbn:se:ltu:diva-15031DOI: 10.1002/pssa.200671120ISI: 000240967400019Scopus ID: 2-s2.0-33749345673Local ID: e7ce79a0-bc22-11db-a46c-000ea68e967bOAI: oai:DiVA.org:ltu-15031DiVA, id: diva2:988004
Note

Validerad; 2006; 20070214 (kani)

Available from: 2016-09-29 Created: 2016-09-29 Last updated: 2022-07-06Bibliographically approved

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Öberg, Sven

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