Nitrogen in graphite and carbon nanotubes: Magnetism and mobility
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A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
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en
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6
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Physical Review B, Volume 72, issue 20, pp. 1-6
Abstract
We use ab initio methods to study the atomic, electronic, and magnetic structure of nitrogen impurities in graphite and carbon nanotubes. We show that the probable configurations for the N impurity atoms are bridgelike adatoms on graphene sheets/nanotubes, substitutional sites and intercalated N2 molecules. We further calculate the migration energy barrier for an N adatom on the graphite surface and the activation energy for the coalescence of two N adatoms into a molecule, which are 1.1eV and 0.8eV, respectively. We also find that the N adatom has a magnetic moment of 0.6μB and that substitutional N enhances the magnetism of C adatoms on graphite and nanotubes, acting as a general promoter of magnetism in carbon systems.Description
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Ma, Y, Foster, A S, Krasheninnikov, A V & Nieminen, R M 2005, 'Nitrogen in graphite and carbon nanotubes: Magnetism and mobility', Physical Review B, vol. 72, no. 20, 205416, pp. 1-6. https://doi.org/10.1103/PhysRevB.72.205416