• 文献标题:   Diffusion and desorption of oxygen atoms on graphene
  • 文献类型:   Article
  • 作  者:   DAI YF, NI S, LI ZY, YANG JL
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF PHYSICSCONDENSED MATTER
  • ISSN:   0953-8984 EI 1361-648X
  • 通讯作者地址:   Univ Sci Technol China
  • 被引频次:   13
  • DOI:   10.1088/0953-8984/25/40/405301
  • 出版年:   2013

▎ 摘  要

To understand the reversible oxidation of graphene in a recent experiment, a density-functional theory study is performed. The adsorption energy of isolated oxygen atom on graphene is 2.3 eV, indicating a strong interaction between them. However, the migration barrier of oxygen atoms on graphene is only 0.8 eV and oxygen diffusion is still possible. Provided with this possibility, we find that, although a single oxygen atom is very difficult to desorb, cooperative desorption of two oxygen atoms is feasible.