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Nonnuclear Nearly Free Electron Conduction Channels Induced by Doping Charge in Nanotube–Molecular Sheet Composites

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    Nonnuclear Nearly Free Electron Conduction Channels Induced by Doping Charge in Nanotube–Molecular Sheet Composites
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    † Department of Physics and Hefei National Laboratory for Physical Sciences at Microscale, University of Science and Technology of China, Hefei, Anhui 230026, People’s Republic of China
    ‡ Department of Physics and Astronomy, University of Pittsburgh, Pittsburgh, Pennsylvania 15260, United States
    *E-mail: [email protected]
    *E-mail: [email protected]
    *E-mail: [email protected]
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    The Journal of Physical Chemistry A

    Cite this: J. Phys. Chem. A 2014, 118, 35, 7255–7260
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    https://doi.org/10.1021/jp410460m
    Published January 3, 2014
    Copyright © 2014 American Chemical Society
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    Abstract

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    Nearly free electron (NFE) states with density maxima in nonnuclear (NN) voids may have remarkable electron transport properties ranging from suppressed electron–phonon interaction to Wigner crystallization. Such NFE states, however, usually exist near the vacuum level, which makes them unsuitable for transport. Through first principles calculations on nanocomposites consisting of carbon nanotube (CNT) arrays sandwiched between boron nitride (BN) sheets, we describe a stratagem for stabilizing the NN-NFE states to below the Fermi level. By doping the CNTs with negative charge, we establish Coulomb barriers at CNTs walls that, together with the insulating BN sheets, define the transverse potentials of one-dimensional (1D) transport channels, which support the NN-NFE states.

    Copyright © 2014 American Chemical Society

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    Supporting Information

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    Calculations using HSE06 functional and for additional nanosandwich structures are presented to support the conclusions presented herein. This material is available free of charge via the Internet at http://pubs.acs.org.

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    Cited By

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    This article is cited by 15 publications.

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    The Journal of Physical Chemistry A

    Cite this: J. Phys. Chem. A 2014, 118, 35, 7255–7260
    Click to copy citationCitation copied!
    https://doi.org/10.1021/jp410460m
    Published January 3, 2014
    Copyright © 2014 American Chemical Society
    Request reuse permissions

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