• 文献标题:   Topology Influence on the Process of Graphene Functionalization by Epoxy and Hydroxyl Groups
  • 文献类型:   Article
  • 作  者:   SHUNAEV VV, GLUKHOVA OE
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF PHYSICAL CHEMISTRY C
  • ISSN:   1932-7447
  • 通讯作者地址:   Saratov NG Chernyshevskii State Univ
  • 被引频次:   15
  • DOI:   10.1021/acs.jpcc.5b12616
  • 出版年:   2016

▎ 摘  要

For the first time the problem of chemical functionalization of mono- and bilayer graphene by epoxy and hydroxyl groups was considered taking into account a real geometry profile of synthesized carbon objects. Such energy characteristics of graphene oxidization as the enthalpy of reaction, binding energy, and the energy of activation barrier were found by means of mathematical modeling. The application of obtained results may help experimenters to decrease energy costs in the synthesis of materials on the base of functionalized graphene.