How graphene is cut upon oxidation?

J Am Chem Soc. 2009 May 13;131(18):6320-1. doi: 10.1021/ja8094729.

Abstract

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.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Carbon / chemistry*
  • Chemical Phenomena
  • Crystallization
  • Graphite / chemistry*
  • Models, Chemical
  • Nanostructures
  • Oxygen / chemistry*

Substances

  • Carbon
  • Graphite
  • Oxygen