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Modulating the electronic properties of monolayer MoS2 through heterostructure with monolayer gray arsenic.

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Title: Modulating the electronic properties of monolayer MoS2 through heterostructure with monolayer gray arsenic.
Authors: Su, Jie1 sujie0105@mail.nwpu.edu.com, Feng, Li-ping1 lpfeng@nwpu.edu.cn, Pan, Hai-xi1, Lu, Hong-cheng2, Liu, Zheng-tang1
Source: Materials & Design. Apr2016, Vol. 96, p257-262. 6p.
Subjects: Molybdenum disulfide, Monomolecular films, Heterostructures, Electric properties of metals, Arsenic, Band gaps
Abstract: Two-dimensional layered materials attract much attention due to their outstanding intrinsic properties and wide applications. In this work, the mechanical and electronic properties of monolayer MoS 2 on monolayer gray arsenic (g-As) substrates are studied by first-principles calculations. Results indicate that both g-As and MoS 2 undergo small corrugations when monolayer MoS 2 is bonded to g-As. The lowest binding energies (~− 0.05 eV) and the electronic structures are almost independent of the atomic arrangement. But the indirect band gap of g-As/MoS 2 heterostructure enlarges with increasing the interlayer distance. Moreover, the valence band maximum consists of π-like states rather than σ states upon the formation of g-As/MoS 2 heterostructures. Interestingly, complete electron-hole separation is found in the g-As/MoS 2 heterostructures, which can facilitate the application of MoS 2 on photoelectric device. In addition, the work function of monolayer MoS 2 shifts down upon the g-As/MoS 2 heterostructures formation since a certain charge transfer is found between MoS 2 and g-As even though the interlayer interaction is very weak. Our findings provide a detailed understanding of the nature physical properties of g-As/MoS 2 heterostructures, and suggest a simple way to fabricate and improve the application of monolayer MoS 2 in nanodevices. [ABSTRACT FROM AUTHOR]
Copyright of Materials & Design is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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DbLabel: Engineering Source
An: 115069808
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PubTypeId: academicJournal
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  Label: Title
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  Data: Modulating the electronic properties of monolayer MoS2 through heterostructure with monolayer gray arsenic.
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  Data: <searchLink fieldCode="AR" term="%22Su%2C+Jie%22">Su, Jie</searchLink><relatesTo>1</relatesTo><i> sujie0105@mail.nwpu.edu.com</i><br /><searchLink fieldCode="AR" term="%22Feng%2C+Li-ping%22">Feng, Li-ping</searchLink><relatesTo>1</relatesTo><i> lpfeng@nwpu.edu.cn</i><br /><searchLink fieldCode="AR" term="%22Pan%2C+Hai-xi%22">Pan, Hai-xi</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Lu%2C+Hong-cheng%22">Lu, Hong-cheng</searchLink><relatesTo>2</relatesTo><br /><searchLink fieldCode="AR" term="%22Liu%2C+Zheng-tang%22">Liu, Zheng-tang</searchLink><relatesTo>1</relatesTo>
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  Data: <searchLink fieldCode="JN" term="%22Materials+%26+Design%22">Materials & Design</searchLink>. Apr2016, Vol. 96, p257-262. 6p.
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  Data: <searchLink fieldCode="DE" term="%22Molybdenum+disulfide%22">Molybdenum disulfide</searchLink><br /><searchLink fieldCode="DE" term="%22Monomolecular+films%22">Monomolecular films</searchLink><br /><searchLink fieldCode="DE" term="%22Heterostructures%22">Heterostructures</searchLink><br /><searchLink fieldCode="DE" term="%22Electric+properties+of+metals%22">Electric properties of metals</searchLink><br /><searchLink fieldCode="DE" term="%22Arsenic%22">Arsenic</searchLink><br /><searchLink fieldCode="DE" term="%22Band+gaps%22">Band gaps</searchLink>
– Name: Abstract
  Label: Abstract
  Group: Ab
  Data: Two-dimensional layered materials attract much attention due to their outstanding intrinsic properties and wide applications. In this work, the mechanical and electronic properties of monolayer MoS 2 on monolayer gray arsenic (g-As) substrates are studied by first-principles calculations. Results indicate that both g-As and MoS 2 undergo small corrugations when monolayer MoS 2 is bonded to g-As. The lowest binding energies (~− 0.05 eV) and the electronic structures are almost independent of the atomic arrangement. But the indirect band gap of g-As/MoS 2 heterostructure enlarges with increasing the interlayer distance. Moreover, the valence band maximum consists of π-like states rather than σ states upon the formation of g-As/MoS 2 heterostructures. Interestingly, complete electron-hole separation is found in the g-As/MoS 2 heterostructures, which can facilitate the application of MoS 2 on photoelectric device. In addition, the work function of monolayer MoS 2 shifts down upon the g-As/MoS 2 heterostructures formation since a certain charge transfer is found between MoS 2 and g-As even though the interlayer interaction is very weak. Our findings provide a detailed understanding of the nature physical properties of g-As/MoS 2 heterostructures, and suggest a simple way to fabricate and improve the application of monolayer MoS 2 in nanodevices. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of Materials & Design is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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        Value: 10.1016/j.matdes.2016.02.017
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        Text: English
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        PageCount: 6
        StartPage: 257
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        Type: general
      – SubjectFull: Monomolecular films
        Type: general
      – SubjectFull: Heterostructures
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      – SubjectFull: Electric properties of metals
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      – SubjectFull: Arsenic
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      – SubjectFull: Band gaps
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      – TitleFull: Modulating the electronic properties of monolayer MoS2 through heterostructure with monolayer gray arsenic.
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            NameFull: Su, Jie
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              Text: Apr2016
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