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Article Dans Une Revue Journal of Physical Chemistry C Année : 2010

Reaction Mechanisms for Graphene and Carbon Nanotube Fluorination

Résumé

Via density functional theory calculations, we explore the process of graphene and carbon nanotube fluorination. Contrary to graphene, HF-catalyzed carbon nanotube fluorination adds fluorine pairs at (1,4) spacing, naturally leading to a self-organized C4F coverage, which call subsequently rearrange into dense axial C2F lines by fluorine diffusion upon solubilization or heat treatment. Controlling the fluorination process and subsequent nanotube processing results in fluorinated material types with unexplored electronic and chemical properties.
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Dates et versions

hal-00468422 , version 1 (30-03-2010)

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S. Osuna, M. Torrent-Sucarrat, M. Sola, P. Geerlings, Christopher Ewels, et al.. Reaction Mechanisms for Graphene and Carbon Nanotube Fluorination. Journal of Physical Chemistry C, 2010, 114 (8), pp.3340. ⟨10.1021/jp908887n⟩. ⟨hal-00468422⟩
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