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Fluorination-Enriched Electronic and Magnetic Properties in Graphene Nanoribbons

Abstract

The feature-rich electronic and magnetic properties of fluorine-doped graphene nanoribbons are investigated by the first-principles calculations. They arise from the cooperative or competitive relations among the significant chemical bonds, finite-size quantum confinement and edge structure. There exist C-C, C-F, and F-F bonds with the multi-orbital hybridizations. Fluorine adatoms can create the p-type metals or the concentration- and distribution-dependent semiconductors, depending on whether the π bondings is seriously suppressed by the top-site chemical bonding. Furthermore, five kinds of spin-dependent electronic and magnetic properties cover the non-magnetic and ferromagnetic metals, the non-magnetic semiconductors, and the anti-ferromagnetic semiconductors with/without the spin splitting. The diverse essential properties are clearly revealed in the spatial charge distribution, the spin density, and the orbital-projected density of states.

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Publication details

The article was received on 10 Jun 2017, accepted on 10 Jul 2017 and first published on 10 Jul 2017


Article type: Paper
DOI: 10.1039/C7CP03893C
Citation: Phys. Chem. Chem. Phys., 2017, Accepted Manuscript
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    Fluorination-Enriched Electronic and Magnetic Properties in Graphene Nanoribbons

    K. D. Nguyen, Y. Lin, S. Lin, Y. H. Chiu, N. T. T. Tran and M. Lin, Phys. Chem. Chem. Phys., 2017, Accepted Manuscript , DOI: 10.1039/C7CP03893C

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