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arXiv · 0802.2623

Self-passivating edge reconstructions of graphene

Pekka Koskinen·Sami Malola·Hannu Häkkinen
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Abstract

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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Pekka Koskinen, Sami Malola, Hannu Häkkinen. 2008-08-08. Self-passivating edge reconstructions of graphene. https://doi.org/10.1103/physrevlett.101.115502

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