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Issue 37, 2011
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Electronic and magnetic properties of C-adsorbed graphene: a first-principles study

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Abstract

Using density functional theory, we consider the adsorption of C on graphene, which gives rise to many interesting phenomena. A single-C at the bridge site shows a clearly covalent-bond feature with graphene, in which the metallic state occurs and a magnetic moment of 0.36 μB was determined. For both-sided adsorption, the magnetic moment is remarkably larger than that in one-sided adsorption, and increases with concentration up to a coverage of 12.5%. High spin polarization obtained at the Fermi level indicates a high degree of passage of preferred spin, which is important for developing spin filters.

Graphical abstract: Electronic and magnetic properties of C-adsorbed graphene: a first-principles study

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Publication details

The article was received on 23 Feb 2011, accepted on 20 Jun 2011 and first published on 17 Aug 2011


Article type: Paper
DOI: 10.1039/C1CP20482C
Citation: Phys. Chem. Chem. Phys., 2011,13, 16574-16578
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    Electronic and magnetic properties of C-adsorbed graphene: a first-principles study

    Y. G. Zhou, Z. G. Wang, P. Yang, X. T. Zu, H. Y. Xiao, X. Sun, M. A. Khaleel and F. Gao, Phys. Chem. Chem. Phys., 2011, 13, 16574
    DOI: 10.1039/C1CP20482C

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