Probing the role of carbon solubility in transition metal catalyzing Single-Walled Carbon Nanotubes growth

Juan-Manuel Aguiar-Hualde (1) , Yann Magnin (2) , Hakim Amara (1) , Christophe Bichara (2)

1 LEM - ONERA - CNRS - Laboratoire d'étude des microstructures [Châtillon]
2 CINaM - Centre Interdisciplinaire de Nanoscience de Marseille

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.

Mots clés: Monte Carlo simulations; tight-binding; nanotube; growth mechanisms

Domaines: Science des matériaux [cond-mat.mtrl-sci]

Juan-Manuel Aguiar-Hualde, Yann Magnin, Hakim Amara, Christophe Bichara. Probing the role of carbon solubility in transition metal catalyzing Single-Walled Carbon Nanotubes growth. Carbon, 2017, 120, pp.226-232. ⟨10.1016/j.carbon.2017.05.035⟩. ⟨hal-01473560⟩