How Graphene Is Cut upon Oxidation?

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• 作者：Zhenyu Li ; Wenhua Zhang ; Yi Luo ; Jinlong Yang ; Jian Guo Hou
• 刊名：Journal of the American Chemical Society
• 出版年：2009
• 出版时间：May 13, 2009
• 年：2009
• 卷：131
• 期：18
• 页码：6320-6321
• 全文大小：142K
• 年卷期：v.131,no.18(May 13, 2009)
• ISSN：1520-5126

文摘

Our first principles calculations reveal that an oxidative cut of graphene is realized by forming epoxy and then carbonyl pairs. Direct formation of a carbonyl pair to tear graphene up from an edge position is not favorable in energy. This atomic picture is valuable for developing effective means of graphene manipulation. The proposed epoxy pairs may be related to some long puzzling experimental observations on graphene oxide.