Curvature Effect on the Barrier from the Physisorption to the Chemisorption of H2 on Graphene

Bulletin of the Korean chemical society

Baotao Kang¹  Sunwoo Kang¹  Jin Yong Lee¹  Shihai Yan¹ 

关键词: Graphene;    Hydrogenation;    Adsorption;    Curvature effect;   

DOI  :  

学科分类：化学（综合）

来源: Korean Chemical Society

【 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 sp3 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 sp3 character.

【 授权许可】

Unknown