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Mechanisms and theoretical simulations of the catalytic growth of nanocarbons

Published online by Cambridge University Press:  10 November 2017

Evgeni S. Penev ,
Feng Ding  and
Boris I. Yakobson
Evgeni S. Penev
Affiliation:
Rice University, USA; epenev@rice.edu
Feng Ding
Affiliation:
Ulsan National Institute of Science and Technology; and Center for Multidimensional Carbon Materials, Institute for Basic Science, South Korea; f.ding@unist.ac.kr
Boris I. Yakobson
Affiliation:
Rice University, USA; biy@rice.edu
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Abstract

Nanocarbons have been catalytically grown since 1993. However, even today, the formation mechanisms of carbon nanotubes (CNTs) and graphene are not sufficiently understood. This sustained challenge has been an engine for the development in theory concepts and computational methods, tackling the problem of well-controlled production of these nanomaterials. This article discusses how experimental discoveries and theoretical approaches evolved hand-in-hand for the successful understanding of challenging issues, highlighting parallels and distinctions between graphene and CNTs. Key aspects include the mechanisms of nucleation and CNT-liftoff, chiral symmetry selection and control, rates of growth and island shapes, mechanisms defining single chirality of the nanotubes, and ways to suppress grain boundaries in the quest for ever larger and faster growing single-crystal graphene, or longest defect-free CNTs. The theme of catalyst chemistry and structure, either as a nanoparticle or a planar substrate, is traced through the stages of nanocarbon formation, with focus on theoretically generalizable findings.

Keywords

catalyticnucleation and growthnanostructure
Type
Research Article
Information
MRS Bulletin , Volume 42 , Issue 11: Catalysts for Nanocarbon Growth , November 2017 , pp. 794 - 801
Copyright
Copyright © Materials Research Society 2017 

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