Friday, February 20, 2009

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

Philip Shemella, Saroj K. Nayak (2009). Electronic structure and band-gap modulation of graphene via substrate surface chemistry Applied Physics Letters, 94 (3) DOI: 10.1063/1.3070238

This is a theory paper using DFT to determine the effect of the substrate on the properties of graphene. According to the paper's calculations, O-terminated SiO2 strongly interacts with a graphene layer, making divots in the graphene layer to give a higher surface roughness and resistivity (with a band gap around 0.35eV, similar to armchair graphene nanoribbons). Putting a second layer of graphene on top of this lowers the band gap some, but doesn't eliminate it altogether (0.10 eV, similar to zigzag graphene nanoribbons). If you passivate your SiO2 with some hydrogen, giving hydroxyl groups on the surface instead of dangling oxygen, you get very little interaction with graphene. This graphene would still be metallic (band gap = 0) . The moral of the story is to be mindful of what you put your graphene on, since even different forms of SiO2 can have a big impact on properties.

EN#39
ResearchBlogging.org

1 comments:

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