Self-passivating edge reconstructions of graphene.
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.
Department of Physics, NanoScience Center, 40014 University of Jyväskylä, Finland. pekka.koskinen@phys.jyu.fi
Pekka
P
Koskinen
Sami
S
Malola
Hannu
H
Häkkinen