Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
Computational Studies of Metal Clusters and Carbon Nanotubes
University of Borås, School of Engineering.
2008 (English)Licentiate thesis, monograph (Other academic)
Abstract [en]

Carbon nanotubes constitute a promising candidate material in the realisation of nanoscaled electronics. This requires the ability for systematic production of carbon nanotubes with certain properties. This is called selective carbon nanotube growth. Two important aspects related to carbon nanotube growth are investigated in order to shed some light on this issue. First the melting behaviour of nanometer sized iron particles is investigated using molec- ular dynamics simulations. The iron nanoparticles studied are mounted on a porous Al2 O3 substrate in order to mimic the experimental situation during nanotube growth with the chemical vapour deposition method. This showed that the melting temperature of a cluster on a porous substrate may be lower than the melting temperature of a cluster on a flat sub- strate. This means that the catalyst particles used for nanotube growth may be liquid. In association with these studies the role of surface curvature to melting behaviour is explored further. The second presented study concerns the docking of nickel clusters to open single wall carbon nanotube ends. The motivation for this study was the possibility to continue growth of a carbon nanotube by docking of catalyst particles to its end. This work may also be of importance for the creation of electric junctions between carbon nanotubes and metal elec- trodes. This study showed that independent of whether the metal was gently put on the nanotube end or brutally forced to the end, it is the metal that adapts to the nanotube and not vice versa. For forced docking it was seen that carbon might dissolve in to the metal. This was not seen for the gently docked clusters. Carbon dissolution might affect the electronic properties of the metal (carbide) and nanotube-metal junction.

Place, publisher, year, edition, pages
2008.
Series
Skrifter från Högskolan i Borås, ISSN 0280-381X ; 14
Keyword [en]
carbon nanotube, metal clusters, nanotubesmetal junction, melting temperatures, nanotechnology, molecular dynamics, monte carlo, tight binding, atomistic simulations
Keyword [sv]
Energi och material
National Category
Other Engineering and Technologies not elsewhere specified Chemical Process Engineering Materials Chemistry Chemical Process Engineering
Identifiers
URN: urn:nbn:se:hb:diva-3503Local ID: 2320/4429ISBN: 978-91-633-3841-0 (print)OAI: oai:DiVA.org:hb-3503DiVA: diva2:876892
Available from: 2015-12-04 Created: 2015-12-04

Open Access in DiVA

No full text

Search in DiVA

By author/editor
Börjesson, Anders
By organisation
School of Engineering
Other Engineering and Technologies not elsewhere specifiedChemical Process EngineeringMaterials ChemistryChemical Process Engineering

Search outside of DiVA

GoogleGoogle Scholar

Total: 70 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf