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Issue 22, 2019
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The origin of intrinsic charge transport for Dirac carbon sheet materials: roles of acetylenic linkage and electron–phonon couplings

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Abstract

Within the past few years, intriguing graphene Dirac cones have attracted intense interest in novel two-dimensional (2D) Dirac materials as ultrahigh-mobility functional materials. In this work, the phonon-limited charge transport properties of α-graphyne (α-GY), α-graphdiyne (α-GDY), and β-graphyne (β-GY) were investigated using the Boltzmann transport equation within the first-principles framework while considering the electron–phonon coupling (EPC). Despite all three investigated compounds being 2D Dirac carbon materials, each demonstrated distinctly different carrier mobilities by one order of magnitude (2.2 × 104 cm2 V−1 s−1 for α-GY, 2.1 × 103 cm2 V−1 s−1 for α-GDY and 1.9 × 103 cm2 V−1 s−1 for β-GY at room-temperature and a carrier connection of n ∼ 3 × 1012 cm−2). The essential differences in the mobilities of these materials originated from the acetylenic linkage limiting the group velocity and the E2g phonon modes limiting the scattering time. For example, a few uniformly equivalent acetylenic linkages and E2g phonon modes tend to generate high mobilities. A simple mobility relationship was determined using the number of E2g photon modes, allowing for a quick estimation of the mobilities for Dirac materials. α-GY was identified as a promising alternative to graphene for next generation nanoelectronic devices.

Graphical abstract: The origin of intrinsic charge transport for Dirac carbon sheet materials: roles of acetylenic linkage and electron–phonon couplings

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Publication details

The article was received on 26 Feb 2019, accepted on 09 May 2019 and first published on 09 May 2019


Article type: Paper
DOI: 10.1039/C9NR01734H
Nanoscale, 2019,11, 10828-10837

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    The origin of intrinsic charge transport for Dirac carbon sheet materials: roles of acetylenic linkage and electron–phonon couplings

    C. Liu, J. Yang, J. Xi and X. Ke, Nanoscale, 2019, 11, 10828
    DOI: 10.1039/C9NR01734H

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