Metal-semiconductor-metal transition in zigzag carbon nanoscrolls

Similar to rolling up paper, carbon nanoscrolls (CNSs) can be rolled from graphene nanoribbons (GNRs) using physical approaches. Owing to their peculiar one-dimensional nanostructures, CNSs have attracted great attention over the past few years. In this study, we have investigated the effects of ben...

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Bibliographic Details
Published in:Nanoscale 2016-02, Vol.8 (5), p.2887-2891
Main Authors: Dong, Haixia, Zhang, Yang, Fang, Dangqi, Gong, Baihua, Zhang, Erhu, Zhang, Shengli
Format: Article
Language:English
Subjects:
Bending
Carbon
Electronic properties
Graphene
Mathematical analysis
Nanostructure
Origins
Tapes (metallic)
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Summary:Similar to rolling up paper, carbon nanoscrolls (CNSs) can be rolled from graphene nanoribbons (GNRs) using physical approaches. Owing to their peculiar one-dimensional nanostructures, CNSs have attracted great attention over the past few years. In this study, we have investigated the effects of bending deformation on the electronic properties of zigzag CNSs (ZCNSs) during the rolling process from zigzag GNRs (ZGNRs) by means of first-principles calculations. It is found that a metal-semiconductor-metal transition is observed. By analyzing charge density and density of states, the origin of this electronic property transition is discussed. Furthermore, we find that the metal-semiconductor-metal transition in ZCNSs is independent of ribbon width as well as spin-orbit interaction. Our results of the metal-semiconductor-metal transition in the ZCNSs are robust and may open potential applications in nano-electromechanical devices based on the ZCNSs. Metal-semiconductor-metal transition in zigzag carbon nanoscrolls under bending deformation.
ISSN:2040-3364
2040-3372
DOI:10.1039/c5nr07628e