6533b832fe1ef96bd129addd
RESEARCH PRODUCT
Self-Passivating Edge Reconstructions of Graphene
Pekka KoskinenSami MalolaHannu Häkkinensubject
Materials scienceHydrogenFOS: Physical sciencesGeneral Physics and Astronomychemistry.chemical_elementNanotechnology02 engineering and technologyElectronic structureEdge (geometry)7. Clean energy01 natural scienceslaw.inventionCondensed Matter::Materials ScienceAdsorptionPlanarlawMetastability0103 physical sciencesPhysics::Atomic and Molecular ClustersPhysics::Atomic Physics010306 general physicsCondensed Matter - Materials ScienceCondensed matter physicsGrapheneMaterials Science (cond-mat.mtrl-sci)021001 nanoscience & nanotechnologyZigzagchemistry0210 nano-technologydescription
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.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2008-02-19 | Physical Review Letters |