Computational Studies of Catalytic Particles for Carbon Nanotube Growth
- 1 January 2009
- journal article
- review article
- Published by American Scientific Publishers in Journal of Computational and Theoretical Nanoscience
- Vol. 6 (1), 1-15
- https://doi.org/10.1166/jctn.2009.1001
Abstract
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.Keywords
This publication has 53 references indexed in Scilit:
- Initial growth of single-walled carbon nanotubes on supported iron clusters: a molecular dynamics studyThe European Physical Journal D, 2007
- “Magic Melters” Have Geometrical OriginPhysical Review Letters, 2006
- Solid-liquid phase coexistence and structural transitions in palladium clustersPhysical Review B, 2006
- Transition from Icosahedral to Decahedral Structure in a Coexisting Solid-Liquid Nickel ClusterPhysical Review Letters, 2005
- Atom Collision-Induced Resistivity of Carbon NanotubesScience, 2005
- Nucleation and Growth of Single-Walled Carbon Nanotubes: A Molecular Dynamics StudyThe Journal of Physical Chemistry B, 2004
- The determining factors for the growth mode of carbon nanotubes in the chemical vapour deposition processNanotechnology, 2004
- Diameter-Controlled Synthesis of Discrete and Uniform-Sized Single-Walled Carbon Nanotubes Using Monodisperse Iron Oxide Nanoparticles Embedded in Zirconia Nanoparticle Arrays as CatalystsThe Journal of Physical Chemistry B, 2004
- Narrow (n,m)-Distribution of Single-Walled Carbon Nanotubes Grown Using a Solid Supported CatalystJournal of the American Chemical Society, 2003
- Growth of Isolated Carbon Nanotubes with Lithographically Defined Diameter and LocationNano Letters, 2003