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Theoretical study on the adsorption of armchair carbon nanotubes on the hydrogenated surface of diamond
Author(s) -
Sque Stephen J.,
Jones Robert,
Öberg Sven,
Briddon Patrick R.
Publication year - 2006
Publication title -
physica status solidi (a)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.532
H-Index - 104
eISSN - 1862-6319
pISSN - 1862-6300
DOI - 10.1002/pssa.200671120
Subject(s) - diamond , carbon nanotube , materials science , adsorption , nanotechnology , electron transfer , dopant , carbon fibers , buckminsterfullerene , chemical engineering , metal , carbon nanobud , fullerene , material properties of diamond , nanotube , chemical physics , optical properties of carbon nanotubes , doping , chemistry , composite material , organic chemistry , optoelectronics , composite number , metallurgy , engineering
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. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)