• 文献标题:   Quantum-chemical study of interaction of hydrogen atoms with graphene
  • 文献类型:   Article
  • 作  者:   BUTRIMOV PA, ANAN INA OY, YANOVSKII AS
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF SURFACE INVESTIGATIONXRAY SYNCHROTRON NEUTRON TECHNIQUES
  • ISSN:   1027-4510
  • 通讯作者地址:   Zaporozhe Natl Univ
  • 被引频次:   4
  • DOI:   10.1134/S1027451010030195
  • 出版年:   2010

▎ 摘  要

The dependence of the binding energy and the activation energy of adsorption of hydrogen atoms on the number of previously adsorbed particles and their position-on one or both sides of a cluster, on nearest or distant neighbors (carbon atoms)-is investigated by quantum-chemical modeling. A hypothesis of the formation of adsorption sites (islands) on graphene at the initial stage of its saturation by hydrogen is discussed.