Self-passivating reconstructions of graphene edges
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.
Main Authors
Format
Articles
Research article
Published
2008
Series
Publication in research information system
Publisher
American Physical Society
The permanent address of the publication
https://urn.fi/URN:NBN:fi:jyu-202411147280Use this for linking
Review status
Peer reviewed
ISSN
0031-9007
DOI
https://doi.org/10.1103/PhysRevLett.101.115502
Language
English
Published in
Physical Review Letters
Citation
- Koskinen, P., Malola, S., & Häkkinen, H. (2008). Self-passivating reconstructions of graphene edges. Physical Review Letters, (101), Article 115502. https://doi.org/10.1103/PhysRevLett.101.115502
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Additional information about funding
We acknowledge support from the Academy of Finland (Projects No. 121701 and No. 117997) and from the Finnish Cultural Foundation.
Copyright© 2008 American Physical Society