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Fluorination-enriched electronic and magnetic properties in graphene nanoribbons

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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 multi-orbital hybridizations. Fluorine adatoms can create p-type metals or concentration- and distribution-dependent semiconductors, depending on whether the π bonding 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, non-magnetic semiconductors, and anti-ferromagnetic semiconductors with/without spin splitting. The diverse essential properties are clearly revealed in the spatial charge distribution, spin density, and orbital-projected density of states.

Graphical abstract: Fluorination-enriched electronic and magnetic properties in graphene nanoribbons

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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, Advance Article
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    Fluorination-enriched electronic and magnetic properties in graphene nanoribbons

    D. K. Nguyen, Y. Lin, S. Lin, Y. Chiu, N. T. T. Tran and M. Fa-Lin, Phys. Chem. Chem. Phys., 2017, Advance Article , DOI: 10.1039/C7CP03893C

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