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Modelling the Nucleation and Chirality Selection of Carbon Nanotubes

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The selection of chiralities of single-walled carbon nanotubes is one of the key problems of nanotube science. We suggest that the chirality-selective growth of SWNTs could be achieved using chemical vapour deposition (CVD) by controlling the type of caps that form during the nucleation stage. As the catalyst can be solid during CVD, the formation of particular caps may be favoured by an epitaxial relationship to the catalyst surface. The corresponding tubes would then grow preferentially. We show by ab-initio calculations that the formation energy of some lattice-matched caps and tubes are 1–2 eV lower than the non lattice-matched structures.
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Keywords: CARBON NANOTUBES; CATALYST; CHIRALITY; GROWTH MECHANISM; NUCLEATION

Document Type: Research Article

Publication date: 01 May 2006

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  • Journal for Nanoscience and Nanotechnology (JNN) is an international and multidisciplinary peer-reviewed journal with a wide-ranging coverage, consolidating research activities in all areas of nanoscience and nanotechnology into a single and unique reference source. JNN is the first cross-disciplinary journal to publish original full research articles, rapid communications of important new scientific and technological findings, timely state-of-the-art reviews with author's photo and short biography, and current research news encompassing the fundamental and applied research in all disciplines of science, engineering and medicine.
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