Curvature Effect on the Barrier from the Physisorption to the Chemisorption of Hb on Graphene

摘要

The curvature dependence of the physisorptions of H2 on graphene surface and their barrier to the chemisorptions has been studied. The graphene with steeper curvature can adsorb H2 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.