4.7 Article

The stability and electronic properties of novel three-dimensional graphene-MoS2 hybrid structure

Journal

SCIENTIFIC REPORTS
Volume 4, Issue -, Pages -

Publisher

NATURE PORTFOLIO
DOI: 10.1038/srep07007

Keywords

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Funding

  1. National Natural Science Foundation of China [51222212]
  2. CAEP foundation [2012B0302052]
  3. Hunan Provincial Natural Science Foundation of China [2015JJ6013]
  4. Science Foundation of Hengyang Normal University [13B41]
  5. MOST of China (973 Project) [2011CB922200]
  6. Hunan Provincial Applied Basic Research Base of Optoelectronic Information Technology [GDXX002]
  7. Construct Program for Key Disciplines in Hunan Province

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Three-dimensional (3D) hybrid layered materials receive a lot of attention because of their outstanding intrinsic properties and wide applications. In this work, the stability and electronic structure of three-dimensional graphene-MoS2 (3DGM) hybrid structures are examined based on first-principle calculations. The results reveal that the 3DGMs can easily self-assembled by graphene nanosheet and zigzag MoS2 nanoribbons, and they are thermodynamically stable at room temperature. Interestingly, the electronic structures of 3DGM are greatly related to the configuration of joint zone. The 3DGM with odd-layer thickness MoS2 nanoribbon is semiconductor with a small band gap of 0.01-0.25 eV, while the one with even-layer thickness MoS2 nanoribbon exhibits metallic feature. More importantly, the 3DGM with zigzag MoS2 nanoribbon not only own the large surface area and effectively avoid the aggregation between the different nanoribbons, but also can remarkably enhance Li adsorption interaction, thus the 3DGM have the great potential as high performance lithium ion battery cathodes.

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