Bulletin of the Korean Chemical Society

Korean Chemical Society (대한화학회)
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Curvature Effect on the Barrier from the Physisorption to the Chemisorption of H2 on Graphene

  • Kang, Baotao (Department of Chemistry, Sungkyunkwan University) ;
  • Kang, Sun-Woo (Department of Chemistry, Sungkyunkwan University) ;
  • Yan, Shihai (Qingdao Institute of Bioenergy and Bioprocess Technology, Chinese Academy of Sciences) ;
  • Lee, Jin-Yong (Department of Chemistry, Sungkyunkwan University)
  • Received : 2010.10.08
  • Accepted : 2011.01.13
  • Published : 2011.03.20
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Abstract

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.

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