Tuning the electronic properties of single-walled SiC nanotubes by external electric field

Shi, Wenwu; Wu, Sheng-Hai; Wang, Zhiguo

doi:10.1016/j.physe.2016.03.014

Cited by 8 publications

(2 citation statements)

References 38 publications

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“…It was reported that the out-of-plane heterostructures show an indirect band gap, whereas the in-plane heterostructures show an direct band gap [28]. The external electric filed can also be used to modulate the band gap of the materials [29][30][31], the band gap decreased with the increase of intensity of electric field. Strains can also be used to modulate the electronic structure of the monolayer MoS 2 , which transform from direct semiconductor to indirect one as the strain applied with 1% and further to metal one with the strain above 10% [23].…”

Section: Introductionmentioning

confidence: 99%

Mechanical and electronic properties of Janus monolayer transition metal dichalcogenides

Shi

Wang

2018

J. Phys.: Condens. Matter

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106

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The mechanical and electronic properties of Janus monolayer transition metal dichalcogenides MXY (M = Ti, Zr, Hf, V, Nb, Ta, Cr, Mo, W; X/Y = S, Se, Te) were investigated using density functional theory. Results show that breaking the out-of-plane structural symmetry can be used to tune the electronic and mechanical behavior of monolayer transition metal dichalcogenides. The band gaps of monolayer WXY and MoXY are in the ranges of 0.16-1.91 and 0.94-1.69 eV, respectively. A semiconductor to metallic phase transition occurred in Janus monolayer MXY (M = Ti, Zr and Hf). The monolayers MXY (M = V, Nb, Ta and Cr) show metallic characteristics, which show no dependence on the structural symmetry breaking. The mechanical properties of MXY depended on the composition. Monolayer MXY (M = Mo, Ti, Zr, Hf and W) showed brittle characteristic, whereas monolayer CrXY and VXY are with ductile characteristic. The in-plane stiffness of pristine and Janus monolayer MXY are in the range between 22 and 158 N m. The tunable electronic and mechanical properties of these 2D materials would advance the development of ultra-sensitive detectors, nanogenerators, low-power electronics, and energy harvesting and electromechanical systems.

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Section: Introductionmentioning

confidence: 99%

Mechanical and electronic properties of Janus monolayer transition metal dichalcogenides

Shi

Wang

2018

J. Phys.: Condens. Matter

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106

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“…It is well-known that the external electric field can be used to modify the physical properties of nanomaterials such as SiC nanotubes [43], MoS 2 monolayers [44] and nanoribbons [45].…”

Section: Introductionmentioning

confidence: 99%

Electric field enhanced adsorption and diffusion of adatoms in MoS2 monolayer

Shi

Wang

et al. 2016

Materials Chemistry and Physics

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Northumbria University has developed Northumbria Research Link (NRL) to enable users to access the University's research output. Copyright © and moral rights for items on NRL are retained by the individual author(s) and/or other copyright owners. Single copies of full items can be reproduced, displayed or performed, and given to third parties in any format or medium for personal research or study, educational, or not-for-profit purposes without prior permission or charge, provided the authors, title and full bibliographic details are given, as well as a hyperlink and/or URL to the original metadata page. The content must not be changed in any way. Full items must not be sold commercially in any format or medium without formal permission of the copyright holder. The full policy is available online: http://nrl.northumbria.ac.uk/policies.html This document may differ from the final, published version of the research and has been made available online in accordance with publisher policies. To read and/or cite from the published version of the research, please visit the publisher's website (a subscription may be required.) 1 Electric Field Enhanced Adsorption and Diffusion of Adatoms in MoS 2 Monolayer Abstract:A new phenomenon, electric field enhanced adsorption and diffusion of lithium, magnesium and aluminum ions in a MoS 2 monolayer, was investigated using density functional theory in this study. With the electric field increased from 0 to 0.8 V/Å, the adsorption energies of the Li, Mg and Al atoms in the MoS 2 monolayer were decreased from -2.01 to -2.49 eV, from -0.80 to -1.28 eV, and -2.71 to -3.01 eV, respectively. The corresponding diffusion barriers were simultaneously decreased from 0.23 to 0.08 eV, from 0.15 to 0.10 eV, and 0.24 to 0.21 eV for the Li, Mg and Al ions, respectively. We concluded that the external electric field can increase the charging speed of rechargeable ion batteries based on the MoS 2 anode materials.

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Structural and electronic properties of nanotubes constructed from fragmented fullerenes

Silva

Filho

Meunier

et al. 2019

Carbon

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Tuning the electronic properties of single-walled SiC nanotubes by external electric field

Cited by 8 publications

References 38 publications

Mechanical and electronic properties of Janus monolayer transition metal dichalcogenides

Mechanical and electronic properties of Janus monolayer transition metal dichalcogenides

Electric field enhanced adsorption and diffusion of adatoms in MoS2 monolayer

Structural and electronic properties of nanotubes constructed from fragmented fullerenes

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