From Graphene to Graphene Oxide and Back

Xingfa Gao, Yuliang Zhao, Zhongfang Chen

Research output: Chapter in Book/Report/Conference proceedingChapter

3 Scopus citations

Abstract

Chemical oxidation of graphite followed by exfoliation and reduction treatment yields chemically converted graphene. In laboratory, this approach has been used for macroscopic synthesis of graphene. Here, we review the recent computational studies on the underlying reaction mechanisms regarding these processes. Computational studies using cluster models and extended slab models are discussed separately. Some questions that deserve further studies are also outlined.

Original languageEnglish (US)
Title of host publicationGraphene Chemistry
Subtitle of host publicationTheoretical Perspectives
PublisherWiley
Pages291-317
Number of pages27
ISBN (Electronic)9781118691281
ISBN (Print)9781119942122
DOIs
StatePublished - Aug 9 2013

Keywords

  • Cluster model
  • Density functional theory
  • Graphene
  • Oxidation
  • Periodic boundary conditions
  • Reaction mechanism
  • Reduction

ASJC Scopus subject areas

  • Engineering(all)
  • Materials Science(all)

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