Self-passivating edge reconstructions of graphene |
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Authors: | Koskinen Pekka Malola Sami Häkkinen Hannu |
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Affiliation: | Department of Physics, NanoScience Center, 40014 University of Jyv?skyl?, Finland. pekka.koskinen@phys.jyu.fi |
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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 a molecular atmosphere. |
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