Modeling the Growth of Single-Wall Carbon Nanotubes

Abstract

More than 20 years after their discovery, our understanding of the growth mechanisms of single-wall carbon nanotubes is still incomplete, in spite of a large number of investigations motivated by potential rewards in many possible applications. Among the many techniques used to solve this challenging puzzle, computer simulations can directly address an atomic scale that is hardly accessible by other experiments, and thereby support or invalidate different ideas, assumptions, or models. In this paper, we review some aspects of the computer simulation and theoretical approaches dedicated to the study of single-wall carbon nanotube growth, and suggest some ways towards a better control of the synthesis processes by chemical vapor deposition.

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Acknowledgements

The research leading to these results has received funding from the European Union Seventh Framework Programme (FP7/2007-2013) under Grant Agreement No. 604472 (IRENA project) and French Research Funding Agency under Grant No. ANR-13-BS10-0015-01 (SYNAPSE project). Drs. M. He, Y. Magnin and J.-M. Aguiar-Hualde are gratefully acknowledged for making some of their results available prior to publication.

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Correspondence to Christophe Bichara.

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This article is part of the Topical Collection “Single-Walled Carbon Nanotubes: Preparation, Property and Application”; edited by Yan Li, Shigeo Maruyama.

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Amara, H., Bichara, C. Modeling the Growth of Single-Wall Carbon Nanotubes. Top Curr Chem (Z) 375, 55 (2017). https://doi.org/10.1007/s41061-017-0141-8

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Keywords

  • SWNT
  • Growth mechanisms
  • Modeling
  • CVD