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Updated: Jul 2, 2026
Synthesis and Functionalization of 3D Nano-graphene Materials: Graphene Aerogels and Graphene Macro Assemblies
Published on: November 5, 2015
Thermal stability of graphene and nanotube covalent functionalization
E R Margine1, M-L Bocquet, X Blase
1Laboratoire de Physique de la Matière Condensée et Nanostructures, UMR CNRS 5586, Université Claude Bernard Lyon 1, Bâtiment Brillouin, 43 Bd 11 Novembre 1918, 69622 Villeurbanne, France.
Abstract:
We study kinetic factors governing the diffusion and desorption of covalently grafted phenyl and dichlorocarbene radicals on graphene and carbon nanotubes. Our ab initio calculations of reaction rates show that isolated phenyls can easily desorb and diffuse at room temperature. On the contrary, paired phenyls are expected to remain grafted to the surface up to a few hundred degrees Celsius. In the case of dichlorocarbene, no clustering is observed; at room temperature, the isolated radicals remain covalently attached to small-diameter nanotubes but desorb easily from graphene. Our results on the thermal behavior of side moieties on graphitic surfaces could be used to optimize the tradeoff between reactivity and conductance of nanotubes in the process of covalent functionalization.
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