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Realizing semiconductor to metal transition in graphitic ZnO and MoS2 nanocomposite with external electric field
KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology. Department of Physics, Institute of Theoretical Physics, Xiamen University, Xiamen, China.
2015 (English)In: RSC Advances, ISSN 2046-2069, E-ISSN 2046-2069, Vol. 5, no 120, 99153-99163 p.Article in journal (Refereed) PublishedText
Abstract [en]

First-principles calculations have been used to investigate the structural and electronic properties of graphitic ZnO and MoS2 (g-ZnO/MoS2) nanocomposites. It is found that the binding strength of g-ZnO/MoS2 exhibits strong dependence of atomic arrangement of g-ZnO relative to MoS2. The coupling interaction of g-ZnO/MoS2 obviously reduces the semiconducting band gaps, compared to both individual sheets, which are sensitive to its stacking orders. Interestingly, the vertical external electric field (E-field) can be applied to enhance the stability of g-ZnO/MoS2 and increase charge transfers between these two component. Furthermore, the E-field with the positive direction from MoS2 to g-ZnO can tune the band gap of g-ZnO/MoS2 nanocomposites, whereas this nanocomposites produce the semiconducting to metallic behavior transitions when the E-field changes from positive to negative direction, regardless of the stacking pattern. The tunable electronic properties of g-ZnO/MoS2 nanocomposites under the E-field are attributed to the changes in electrostatic potential difference between atom layer of MoS2 and interlayer region close to g-ZnO. Present results suggest that the g-ZnO/MoS2 heterojunction provides promising applications for MoS2-based optoelectronic and nanoelectronic devices, such as fabricating field effect transistor (FET).

Place, publisher, year, edition, pages
2015. Vol. 5, no 120, 99153-99163 p.
National Category
Condensed Matter Physics
URN: urn:nbn:se:kth:diva-179630DOI: 10.1039/c5ra18114cISI: 000365328000051ScopusID: 2-s2.0-84948395592OAI: diva2:885277

QC 20151218

Available from: 2015-12-18 Created: 2015-12-17 Last updated: 2015-12-18Bibliographically approved

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Cao, Xinrui
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