Electronic structure and band-gap modulation of graphene via substrate surface chemistry

Shemella, Philip; Nayak, Saroj K.
January 2009
Applied Physics Letters;1/19/2009, Vol. 94 Issue 3, pN.PAG
Academic Journal
We have studied the electronic structure of graphene deposited on a SiO2 surface using density functional methods. The band structure of the graphene monolayer strongly depends on surface characteristics of the underlying SiO2 surface; for an oxygen-terminated surface, the monolayer exhibits a finite energy band 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.


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