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Graphene adhesion on MoS₂ monolayer: an ab initio study
Yandong Ma1, Ying Dai, Meng Guo
1School of Physics, State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100, People's Republic of China.
Nanoscale
|August 12, 2011
Summary
Graphene weakly interacts with molybdenum disulfide (MoS2) monolayers, preserving graphene's electronic properties. This MoS2/graphene system opens a small band-gap, useful for electronic devices.
Area of Science:
- Materials Science
- Condensed Matter Physics
- Nanotechnology
Background:
- Graphene and molybdenum disulfide (MoS2) are 2D materials with unique electronic properties.
- Hybrid structures of these materials are of interest for novel electronic applications.
Purpose of the Study:
- To investigate the geometric and electronic structures of graphene adsorbed on a MoS2 monolayer.
- To understand the interaction and electronic properties of the MoS2/graphene hybrid system.
Main Methods:
- Density functional theory (DFT) calculations were employed.
- Analysis of interlayer spacing, binding energy, and electronic band structure.
Main Results:
- Graphene binds weakly to MoS2 with a binding energy of -23 meV/C atom and an interlayer spacing of 3.32 Å.
- The hybrid structure preserves graphene's linear band dispersion.
- A small band-gap of 2 meV opens in the hybrid system due to MoS2-induced on-site energy variations.
Conclusions:
- The MoS2/graphene system exhibits weak interaction but retains desirable electronic properties.
- This hybrid material is a promising candidate for designing electronic devices requiring both a finite band-gap and high carrier mobility.
