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N-Doped Hybrid Graphene and Boron Nitride Armchair Nanoribbons As Nonmagnetic Semiconductors with Widely Tunable Electronic Properties

  • Physical Chemistry of Nanoclusters and Nanomaterials
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Abstract

The electronic and chemical properties of N-doped hybrid graphene and boron nitride armchair nanoribbons (N-doped a-GBNNRs) in comparison with graphene armchair nanoribbon (pristine a-GNR) and hybrid graphene and boron nitride armchair nanoribbon (C-3BN) are investigated using the density functional theory method. The results show that all the mentioned nanoribbons are nonmagnetic direct semiconductors and all the graphitic N-doped a-GBNNRs are n-type semiconductors while the rest are p-type semiconductors. The N-doped graphitic 2 and N-doped graphitic 3 structures have the lowest work function and the highest number of valence electrons (Lowdin charges) which confirms that they are effective for use in electronic device applications.

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Authors and Affiliations

  1. Department of Chemical Technologies, Iranian Research Organization for Science and Technology, Tehran, Iran

    Razieh Habibpour & Eslam Kashi

  2. Department of Chemistry, Payame Noor University, Tehran, Iran

    Raheleh Vazirib

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  1. Razieh Habibpour
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  2. Eslam Kashi
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  3. Raheleh Vazirib
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Correspondence to Razieh Habibpour.

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Habibpour, R., Kashi, E. & Vazirib, R. N-Doped Hybrid Graphene and Boron Nitride Armchair Nanoribbons As Nonmagnetic Semiconductors with Widely Tunable Electronic Properties. Russ. J. Phys. Chem. 92, 532–539 (2018). https://doi.org/10.1134/S0036024418030226

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  • DOI: https://doi.org/10.1134/S0036024418030226

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