Self-passivating edge reconstructions of graphene

Details Self-passivating edge reconstructions of graphene Self-passivating edge reconstructions of graphene

2008-02-19

arxiv.org/abs/0802.2623v2

Phys. Rev. Lett. 101, 115502 (2008)

Physics

Condensed Matter

Materials Science

4 pages, 4 figures, 1 table

Scientific paper

10.1103/PhysRevLett.101.115502

Planar reconstruction patterns at the zigzag and armchair edges of graphene were investigated with density functional theory. It was unexpectedly found that the zigzag edge is metastable and a planar reconstruction spontaneously takes place at room temperature. The reconstruction changes electronic structure and self-passivates the edge with respect to adsorption of atomic hydrogen from molecular atmosphere.

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