Graphene adhesion on MoS2 monolayer: An ab initio study

✍ Scribed by Ma, Yandong; Dai, Ying; Guo, Meng; Niu, Chengwang; Huang, Baibiao

• Book ID: 120213032
• Publisher: The Royal Society of Chemistry
• Year: 2011
• Tongue: English
• Weight: 313 KB
• Volume: 3
• Category: Article
• ISSN: 2040-3364
• DOI: 10.1039/C1NR10577A

✦ Synopsis

The geometric and electronic structures of graphene adsorption on MoS 2 monolayer have been studied by using density functional theory. It is found that graphene is bound to MoS 2 with an interlayer spacing of 3.32

A and with a binding energy of À23 meV per C atom irrespective of adsorption arrangement, indicating a weak interaction between graphene and MoS 2 . A detailed analysis of the electronic structure indicates that the nearly linear band dispersion relation of graphene can be preserved in MoS 2 /graphene hybrid accompanied by a small band-gap (2 meV) opening due to the variation of on-site energy induced by MoS 2 . 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.