Journal
CHEMICAL PHYSICS LETTERS
Volume 501, Issue 4-6, Pages 396-399Publisher
ELSEVIER
DOI: 10.1016/j.cplett.2010.11.023
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Novel route for the establishing of magnetism in realistic oxidized graphene nanoribbons is proposed. Modelling of the migration of hydroxyl groups from central part to the zig-zag edges of graphene nanoribbons passivated by oxygen are performed with using density functional theory. The presence of hydroxyl groups near the edges leads formation of dangling bonds there instead saturated due to oxidation and repairs of magnetism diminished by edges oxidation. The route of manufacturing and stability of new type of magnetic graphene nanoribbons are also discussed. (C) 2010 Elsevier B.V. All rights reserved.
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