Enhancement of chemical activity in corrugated graphene

Details Enhancement of chemical activity in corrugated graphene Enhancement of chemical activity in corrugated graphene

2009-05-13

arxiv.org/abs/0905.2137v2

Physics

Condensed Matter

Materials Science

7 pages 3 figures. One figure added, description of the shape of ripples expanded. Final version, to be published in J. Phys.

Scientific paper

Simulation of chemical activity of corrugated graphene within density functional theory predicts an enhancement of its chemical activity if the ratio of height of the corrugation (ripple) to its radius is larger than 0.07. Further growth of the curvature of the ripples results in appearance of midgap states which leads to an additional strong increase of chemisororption energy. These results open a way for tunable functionalization of graphene, namely, depending of curvature of the ripples one can provide both homogeneous (for small curvatures) and spot-like (for large curvatures) functionalization.

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