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Hydrogenated grain boundaries in graphene

โœ Scribed by Brito, W. H.; Kagimura, R.; Miwa, R. H.


Book ID
120722580
Publisher
American Institute of Physics
Year
2011
Tongue
English
Weight
643 KB
Volume
98
Category
Article
ISSN
0003-6951

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Grain boundaries dominate the property of polycrystalline graphene. We report first-principles calculations and classical molecular dynamics simulations that reveal enhanced defect reactivity induced by an inhomogeneous strain field at grain boundaries. Strained carbon bonds located at heptagons and