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Carbon Nanotube Gro...
Carbon Nanotube Growth Mechanisms
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- Bolton, Kim (författare)
- Physics Department, Göteborg University
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- Larsson, Peter O. (författare)
- Department of Physics, Condensed Matter Theory Group, Uppsala University
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Larsson, Andreas (författare)
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visa fler...
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- Ahuja, Rajeev B. (författare)
- Department of Physics, Condensed Matter Theory Group, Uppsala University
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- Ding, Feng (författare)
- Physics Department, Göteborg University
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- Duan, HaiWing (författare)
- Physics Department, Göteborg University
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Zhu, W. (författare)
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Börjesson, A. (författare)
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Harutyunyan, H.R. (författare)
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Tokune, T. (författare)
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Curtarolo, S (författare)
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visa färre...
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(creator_code:org_t)
- 2007
- 2007
- Engelska.
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Ingår i: Proceedings of Diamond 2007, the 18th European Conference on Diamond, Diamond-Like Materials, Carbon Nanotubes, Nitrides and Silicon Carbide.
- Relaterad länk:
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https://urn.kb.se/re...
Abstract
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- 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.
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Bolton, Kim
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Larsson, Peter O ...
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Larsson, Andreas
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Ahuja, Rajeev B.
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Ding, Feng
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Duan, HaiWing
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visa fler...
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Zhu, W.
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Börjesson, A.
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Harutyunyan, H.R ...
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Tokune, T.
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Curtarolo, S
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visa färre...
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