期刊
NANOSCALE
卷 3, 期 9, 页码 3883-3887出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c1nr10577a
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资金
- National Basic Research Program of China [2007CB613302]
- National Natural Science foundation of China [10774091, 20973102]
The geometric and electronic structures of graphene adsorption on MoS2 monolayer have been studied by using density functional theory. It is found that graphene is bound to MoS2 with an interlayer spacing of 3.32 angstrom and with a binding energy of -23 meV per C atom irrespective of adsorption arrangement, indicating a weak interaction between graphene and MoS2. A detailed analysis of the electronic structure indicates that the nearly linear band dispersion relation of graphene can be preserved in MoS2/graphene hybrid accompanied by a small band-gap (2 meV) opening due to the variation of on-site energy induced by MoS2. These findings are useful complement to experimental studies of this new synthesize system and suggest a new route to facilitate the design of devices where both finite band-gap and high carrier mobility are needed.
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