Group-IV graphene- and graphane-like nanosheets

Details Group-IV graphene- and graphane-like nanosheets Group-IV graphene- and graphane-like nanosheets

2012-04-13

arxiv.org/abs/1204.2875v1

The Journal of Physical Chemistry C 115, 13242 (2011)

Physics

Condensed Matter

Materials Science

Scientific paper

10.1021/jp203657w

We performed a first principles investigation on the structural and electronic properties of group-IV (C, SiC, Si, Ge, and Sn) graphene-like sheets in flat and buckled configurations and the respective hydrogenated or fluorinated graphane-like ones. The analysis on the energetics, associated with the formation of those structures, showed that fluorinated graphane-like sheets are very stable, and should be easily synthesized in laboratory. We also studied the changes on the properties of the graphene-like sheets, as result of hydrogenation or fluorination. The interatomic distances in those graphane-like sheets are consistent with the respective crystalline ones, a property that may facilitate integration of those sheets within three-dimensional nanodevices.

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