Realizing semiconductor to metal transition in graphitic ZnO and MoS2 nanocomposite with external electric field
2015 (English)In: RSC Advances, ISSN 2046-2069, E-ISSN 2046-2069, Vol. 5, no 120, 99153-99163 p.Article in journal (Refereed) PublishedText
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.
Condensed Matter Physics
IdentifiersURN: urn:nbn:se:kth:diva-179630DOI: 10.1039/c5ra18114cISI: 000365328000051ScopusID: 2-s2.0-84948395592OAI: oai:DiVA.org:kth-179630DiVA: diva2:885277
QC 201512182015-12-182015-12-172015-12-18Bibliographically approved