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Issue 38, 2018
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Interlayer coupling and external electric field tunable electronic properties of a 2D type-I α-tellurene/MoS2 heterostructure

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Abstract

α-Tellurene, a recently theoretically and experimentally accessible Group-VI two-dimensional (2D) material, has attracted considerable attention. Owing to its unique structure being similar to that of 2D transition metal dichalcogenides (TMDs), the studies of 2D van der Waals heterostructures (vdWHs) based on α-tellurene/TMDs will be very interesting. In this work, we designed an α-tellurene/MoS2 vdWH and investigated its electronic properties by using the first-principles method. Our results have suggested that such an α-tellurene/MoS2 vdWH possesses an obvious type-I band alignment with an indirect band gap of approximately 0.77 eV. Moreover, we have also found that an intriguing type-I to type-II or indirect to nearly direct transition can be induced by increasing the interlayer coupling of the heterostructure or applying an external electric field. Overall, these findings provide a promising route to tune the electronic properties and design new α-tellurene-based vdWHs for applications in electronic and optoelectronic devices.

Graphical abstract: Interlayer coupling and external electric field tunable electronic properties of a 2D type-I α-tellurene/MoS2 heterostructure

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Publication details

The article was received on 08 Jul 2018, accepted on 20 Aug 2018 and first published on 23 Aug 2018


Article type: Paper
DOI: 10.1039/C8TC03286F
J. Mater. Chem. C, 2018,6, 10256-10262

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    Interlayer coupling and external electric field tunable electronic properties of a 2D type-I α-tellurene/MoS2 heterostructure

    W. Zhang, D. Chang, Q. Gao, C. Niu, C. Li, F. Wang, X. Huang, C. Xia and Y. Jia, J. Mater. Chem. C, 2018, 6, 10256
    DOI: 10.1039/C8TC03286F

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