Journal
NANO RESEARCH
Volume 5, Issue 1, Pages 43-48Publisher
TSINGHUA UNIV PRESS
DOI: 10.1007/s12274-011-0183-0
Keywords
MoS2; quasi-2D chalcogenide materials; first-principles modeling; strain-induced semiconductor to metal transition
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Funding
- Fonds Wetenschappelijk Onderzoek (FWO) [G.0628.09]
- Research Funds of K. U. Leuven [OT/09/031]
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The electronic properties of two-dimensional honeycomb structures of molybdenum disulfide (MoS2) subjected to biaxial strain have been investigated using first-principles calculations based on density functional theory. On applying compressive or tensile bi-axial strain on bi-layer and mono-layer MoS2, the electronic properties are predicted to change from semiconducting to metallic. These changes present very interesting possibilities for engineering the electronic properties of two-dimensional structures of MoS2.
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