• 文献标题:   Two-dimensional nucleation and growth mechanism explaining graphene oxide structures
  • 文献类型:   Article
  • 作  者:   NGUYEN MT, ERNI R, PASSERONE D
  • 作者关键词:  
  • 出版物名称:   PHYSICAL REVIEW B
  • ISSN:   2469-9950 EI 2469-9969
  • 通讯作者地址:   Abdus Salam Int Ctr Theoret Phys
  • 被引频次:   26
  • DOI:   10.1103/PhysRevB.86.115406
  • 出版年:   2012

▎ 摘  要

Using first-principles calculations accompanied by experimental data, we present a study on the structural evolution of graphene during oxidation to form partially oxidized graphene oxide. Our simulations show that local distortions in graphene induced by bond formation with adatoms indirectly lead to a "symbiotic" behavior of co-adsorbed oxygen atoms. Namely, the adatoms tend to mutually stabilize the adsorption and possibly migrate on graphene in groups of some small number of atoms. These theoretical results provide an explanation for the experimentally observed structures of graphene oxide.