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Carbon Nanotube Growth Mechanisms
Physics Department, Göteborg University.
Department of Physics, Condensed Matter Theory Group, Uppsala University.
Department of Physics, Condensed Matter Theory Group, Uppsala University.
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2007 (Engelska)Ingår i: Proceedings of Diamond 2007, the 18th European Conference on Diamond, Diamond-Like Materials, Carbon Nanotubes, Nitrides and Silicon Carbide: [... (Diamond 2007), Berlin, Germany, 10-14 September 2007], 2007Konferensbidrag, Publicerat paper (Refereegranskat)
Abstract [en]

We have used a variety of computational methods to study key aspects of single-walled carbon nanotube (SWNT) growth. Molecular dynamics (MD) studies based on an empirical force field showed; for example; why SWNT growth occurs in a temperature window and why; for 1-2 nm catalyst particles; the SWNT diameter varies linearly with the size of the particle. In addition; the liquid or solid phase of the catalyst particle is strongly dependent on particle size; and smaller particles (< 1.5 nm) are liquid at typical chemical vapor deposition temperatures whereas larger particles (> 5 nm) are solid. The phase of particles of intermediate sizes depends on the exact temperature and on their carbon content. The effect of substrates on metal-carbide properties and SWNT growth has been studied by combing density functional (DFT) and MD methods. A major effect of flat; inert substrates is to flatten the catalyst particles thereby increasing their melting points. DFT has also been used to study the catalyst-SWNT interaction which is critical for the growth of long SWNTs; and is also being used to study the importance of the SWNT cap structure on its chirality. This knowledge is important; for example; when using SWNTs as seeds for the growth of longer nanotubes.

Ort, förlag, år, upplaga, sidor
2007.
Identifikatorer
URN: urn:nbn:se:ltu:diva-28626Lokalt ID: 27ddf26f-06d4-487a-9476-06ef7f73bf1bOAI: oai:DiVA.org:ltu-28626DiVA, id: diva2:1001828
Konferens
European Conference on Diamond, Diamond-Like Materials, Carbon Nanotubes, Nitrides and Silicon Carbide : 10/09/2007 - 14/09/2007
Anmärkning
Upprättat; 2008; 20130826 (andbra)Tillgänglig från: 2016-09-30 Skapad: 2016-09-30 Senast uppdaterad: 2017-11-25Bibliografiskt granskad

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