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Hidden features of the catalyst nanoparticles favorable for single-walled carbon nanotube growth

Journal article
Authors Avetik Harutyunyan
E. Mora
Toshio Tokune
A. Epstein
Kim Bolton
Arne Rosen
A. Jiang
N. Awasthi
S. Curtarolo
Published in APPLIED PHYSICS LETTERS
Volume 90
Issue 16
Pages 163120
ISSN 0003-6951
Publication year 2007
Published at Department of Physics (GU)
Pages 163120
Language en
Keywords CVD SYNTHESIS; SCALE; DYNAMICS; LIQUID
Subject categories Physical Sciences, Atom and Molecular Physics and Optics

Abstract

Combining in situ studies of the catalyst activity during single-walled carbon nanotube (SWCNT) growth by mass spectrometry with differential scanning calorimetry and Raman spectroscopy results, the authors expose the favorable features of small catalyst for SWCNT growth and their relationship with synthesis parameters. The sequential introduction of C-12 and C-13 labeled hydrocarbon reveals the influence of catalyst composition on its lifetime and the growth termination path. Ab initio and molecular dynamics simulations corroborate "V"-shape liquidus line of metal-carbon nanoparticle binary phase diagram, which explains observed carbon-induced solid-liquid-solid phase transitions during nanotube growth.

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