Repair of magnetism in oxidized graphene nanoribbons

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• 作者：D.W. Boukhvalov^a ; ^{D.Bukhvalov@science.ru.nl}
• 刊名：Chemical Physics Letters
• 出版年：2011
• 出版时间：7 January 2011
• 年：2011
• 卷：501
• 期：4-6
• 页码：396-399
• 全文大小：845 K

文摘

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.