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Computational Studies of Catalytic Particles for Carbon Nanotube Growth
University of Borås, School of Engineering.
University of Borås, School of Engineering.
University of Borås, School of Engineering.
University of Borås, School of Engineering.
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2009 (English)In: Journal of Computational and Theoretical Nanoscience, ISSN 1546-1955, E-ISSN 1546-1963, Vol. 6, no 1, 1-15 p.Article in journal (Refereed)
Abstract [en]

We review our computational studies of the melting temperatures and mechanisms of iron and iron-carbide clusters. Both isolated and supported clusters have been considered, and substrates with different shapes or pores have been simulated. It has been seen, for example, that the surface curvature—or local surface curvature—of the particle plays a dominant role in the melting mechanism and temperature. It has also been observed that the melting mechanism for small clusters is different to that of larger clusters.

Place, publisher, year, edition, pages
American Scientific Publishers , 2009. Vol. 6, no 1, 1-15 p.
Keyword [en]
kolnanorör
Keyword [sv]
datormodellering, Energi och material
National Category
Materials Chemistry
Identifiers
URN: urn:nbn:se:hb:diva-2597DOI: 10.1166/jctn.2009.1001Local ID: 2320/5213OAI: oai:DiVA.org:hb-2597DiVA: diva2:870691
Available from: 2015-11-13 Created: 2015-11-13

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