Publication
Title
Bond switching regimes in nickel and nickel-carbon nanoclusters
Author
Abstract
Understanding the fundamental dynamics in carbon nanotube (CNT) catalysts is of primary importance to understand CNT nucleation. This Letter reports on calculated bond switching (BS) rates in pure and carbon containing nickel nanoclusters. The rates are analyzed in terms of their temperature dependent spatial distribution and the mobility of the cluster atoms. The BS mechanism is found to change from vibrational to diffusional at around 900 K, with a corresponding strong increase in activation energy. Furthermore, the BS activation energy is observed to decrease as the carbon content in the cluster increases, resulting in an effective liquification of the cluster.
Language
English
Source (journal)
Chemical physics letters. - Amsterdam
Publication
Amsterdam : 2010
ISSN
0009-2614
Volume/pages
488:4/6(2010), p. 202-205
ISI
000275751900020
Full text (Publisher's DOI)
UAntwerpen
Faculty/Department
Research group
Publication type
Subject
Affiliation
Publications with a UAntwerp address
External links
Web of Science
Record
Identification
Creation 11.03.2010
Last edited 20.06.2017
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