Probing the role of carbon solubility in transition metal catalyzing single-walled carbon nanotubes growth

Metal catalysts supporting the growth of Single Wall Carbon Nanotubes display different carbon solubilities and chemical reactivities. In order to specifically assess the role of carbon solubility, we take advantage of the physical transparency of a tight binding model established for Ni-C alloys, t...

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Bibliographic Details
Published in:Carbon (New York) 2017-08, Vol.120, p.226-232
Main Authors: Aguiar-Hualde, Juan-Manuel, Magnin, Yann, Amara, Hakim, Bichara, Christophe
Format: Article
Language:English
Subjects:
Catalyst
Chemical vapor deposition
Computer simulation
Condensed Matter
Growth mechanism
Materials Science
Physics
Single-walled carbon nanotube
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Summary:Metal catalysts supporting the growth of Single Wall Carbon Nanotubes display different carbon solubilities and chemical reactivities. In order to specifically assess the role of carbon solubility, we take advantage of the physical transparency of a tight binding model established for Ni-C alloys, to develop metal carbon models where all properties, except carbon solubility, are similar. These models are used to analyze carbon incorporation mechanisms, modifications of metal/carbon wall interfacial properties induced thereby, and the associated nanotube growth mechanisms. Fine tuning carbon solubility is shown to be essential to support sustainable growth, preventing growth termination by either nanoparticle encapsulation or detachment. [Display omitted]
ISSN:0008-6223
1873-3891
DOI:10.1016/j.carbon.2017.05.035