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. |
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| 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] |
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| Database: | Engineering Source |
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