Electronic structure and band-gap modulation of graphene via substrate surface chemistry
- 19 January 2009
- journal article
- Published by AIP Publishing in Applied Physics Letters
- Vol. 94 (3), 032101
- https://doi.org/10.1063/1.3070238
Abstract
We have studied the electronic structure of graphene deposited on a SiO 2 surface using density functional methods. The band structure of the graphenemonolayer strongly depends on surface characteristics of the underlying SiO 2 surface; for an oxygen-terminated surface, the monolayer exhibits a finite energyband gap while the band gap is closed when the oxygen atoms on the substrate are passivated with hydrogen atoms. We find that at least a graphene bilayer is required for a near zero energy gap when deposited on a substrate without H-passivation. Our results are discussed in the light of recent experiments.Keywords
This publication has 38 references indexed in Scilit:
- Mind the gapNature Materials, 2007
- Substrate-induced bandgap opening in epitaxial grapheneNature Materials, 2007
- Energy gaps in zero-dimensional graphene nanoribbonsApplied Physics Letters, 2007
- A Graphene Field-Effect DeviceIEEE Electron Device Letters, 2007
- Electronic Structure and Stability of Semiconducting Graphene NanoribbonsNano Letters, 2006
- Energy Gaps in Graphene NanoribbonsPhysical Review Letters, 2006
- Controlling the Electronic Structure of Bilayer GrapheneScience, 2006
- Two-dimensional atomic crystalsProceedings of the National Academy of Sciences, 2005
- Electric Field Effect in Atomically Thin Carbon FilmsScience, 2004
- Edge state in graphene ribbons: Nanometer size effect and edge shape dependencePhysical Review B, 1996