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Electronic Transport along Hybrid MoS2 Monolayers
Univ Stuttgart, Inst Computat Phys, Allmandring 3, D-70569 Stuttgart, Germany..
Univ Fed Espirito Santo, Dept Fis, Vitoria, ES, Brazil..
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory. Univ Fed Fluminense, Dept Fis, ICEx, Rio De Janeiro, Brazil..
Univ Fed Espirito Santo, Dept Fis, Vitoria, ES, Brazil..
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2016 (English)In: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 120, no 41, 23389-23396 p.Article in journal (Refereed) Published
Abstract [en]

Molybdenum disulfide (MoS2) is a two-dimensional material in which a semiconducting and a metallic phase can coexist. In this work, we investigate the electronic and transport properties of a hybrid MoS2 monolayer composed of a metallic strip embedded in the semiconducting MoS2 phase. Using quantum mechanical calculations within the density functional theory scheme together with the non-equilibrium Greens functions approach, we study in detail the structural and electronic properties of this hybrid material and its metal semiconductor interface. A single point-defect analysis is performed in order to assess the stability of the hybrid system. Focus is given to the electronic transport properties of the hybrid MoS2 monolayer extracted from the electronic transmission spectra. These are linked to the local current across the monolayer. A clear asymmetry of the current flowing across the hybrid monolayer was found and was attributed to the atomistic characteristics of the material's interfaces. The results suggest strong potential for the application of hybrid MoS2 in the next generation biosensing devices.

Place, publisher, year, edition, pages
2016. Vol. 120, no 41, 23389-23396 p.
National Category
Condensed Matter Physics
URN: urn:nbn:se:uu:diva-308642DOI: 10.1021/acs.jpcc.6b07917ISI: 000386107600009OAI: oai:DiVA.org:uu-308642DiVA: diva2:1050772
German Research Foundation (DFG), SFB 716Carl Tryggers foundation Swedish Research Council
Available from: 2016-11-30 Created: 2016-11-29 Last updated: 2016-11-30Bibliographically approved

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Scheicher, Ralph H.
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Materials Theory
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