Berlin 2008 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 49: Particles and Clusters
O 49.4: Vortrag
Mittwoch, 27. Februar 2008, 16:00–16:15, MA 005
Understanding the reversibility of graphene and carbon nanotubes covalent functionalization — •Elena Roxana Margine1 and Xavier Blase1,2 — 1LPMCN Université Lyon I, France — 2Institut Néel, CNRS and Université Joseph Fourier, Grenoble, France
The reversibility of the grafting process of functional groups on the surface of carbon nantotubes is an essential step in the recovery of the ballistic properties of metallic nanotubes after separation or assembling. We use {\it ab initio} calculations to explore activation barriers against desorption of aryl radicals from the surface of graphene and nanotubes. We provide evidence for the recently observed partial reversibility of the diazonium salts reaction with carbon nanotubes and discuss the possibility of improving the reversibility using different functional groups.