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Issue 10, 2015
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Carrier mobility of MoS2 nanoribbons with edge chemical modification

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We have investigated the electronic structures and carrier mobilities of MoS2 monolayer sheets and armchair nanoribbons with chemical modification using the density functional theory combined with the Boltzmann transport method with relaxation time approximation. It is shown that the hole mobility (96.62 cm2 V−1 s−1) in monolayer sheets is about twice that of the electron mobility (43.96 cm2 V−1 s−1). The charge mobilities in MoS2 armchair nanoribbons can be regulated by edge modification owing to the changing electronic structures. In pristine armchair nanoribbons, the electron and hole mobilities are about 30 cm2 V−1 s−1 and 25 cm2 V−1 s−1, respectively. When the edges are terminated by H or F atoms, the hole mobility will enhance obviously even 10 times that in pristine ribbons, and the electron mobility is comparable with that in MoS2 sheets.

Graphical abstract: Carrier mobility of MoS2 nanoribbons with edge chemical modification

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Publication details

The article was received on 10 Nov 2014, accepted on 21 Jan 2015 and first published on 28 Jan 2015

Article type: Paper
DOI: 10.1039/C4CP05199H
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Citation: Phys. Chem. Chem. Phys., 2015,17, 6865-6873

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    Carrier mobility of MoS2 nanoribbons with edge chemical modification

    J. Xiao, M. Long, M. Li, X. Li, H. Xu and K. Chan, Phys. Chem. Chem. Phys., 2015, 17, 6865
    DOI: 10.1039/C4CP05199H

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