• 文献标题:   Curvature Effect on the Barrier from the Physisorption to the Chemisorption of H-2 on Graphene
  • 文献类型:   Article
  • 作  者:   KANG B, KANG S, YAN SH, LEE JY
  • 作者关键词:   graphene, hydrogenation, adsorption, curvature effect
  • 出版物名称:   BULLETIN OF THE KOREAN CHEMICAL SOCIETY
  • ISSN:   0253-2964
  • 通讯作者地址:   Chinese Acad Sci
  • 被引频次:   5
  • DOI:   10.5012/bkcs.2011.32.3.934
  • 出版年:   2011

▎ 摘  要

The curvature dependence of the physisorptions of H-2 on graphene surface and their barrier to the chemisorptions has been studied. The graphene with steeper curvature can adsorb H-2 stronger due to the more sp(3) character of the carbon. However, for the negative curvature, the binding strength of the physisorption and the barrier to the chemisorptions are determined by steric repulsion as well as the sp(3) character.