The behavior of graphene bombarded by fullerene(C60 and C70)and its derivatives through using nonequilibrium molecular dynamics method are studied.The microscopic mechanism of passing through graphene is obviously rel...The behavior of graphene bombarded by fullerene(C60 and C70)and its derivatives through using nonequilibrium molecular dynamics method are studied.The microscopic mechanism of passing through graphene is obviously related to the initial structure of destroying carbon-carbon bonds and the strong interaction between the circular region of graphene and the cluster.The probability of passing through graphene depends on the incident velocity of clusters,the species of clusters,the temperature of heat baths,and the defect of graphene.Our results can provide a perspective for further understanding the mechanism of generating nanopores in graphene.The clusters used here may also bring about some potential utilities in tie functionalization of graphene and the production of nanopores.展开更多
基金Supported in part by the National Natural Science Foundation of China under Grant Nos.11004082,and 11291240477the Natural Science Foundation of Guangdong Province under Grant No.2014A030313367the Fundamental Research Funds for the Central Universities,Jinan University under Grant Nos.21611437 and 11614341
文摘The behavior of graphene bombarded by fullerene(C60 and C70)and its derivatives through using nonequilibrium molecular dynamics method are studied.The microscopic mechanism of passing through graphene is obviously related to the initial structure of destroying carbon-carbon bonds and the strong interaction between the circular region of graphene and the cluster.The probability of passing through graphene depends on the incident velocity of clusters,the species of clusters,the temperature of heat baths,and the defect of graphene.Our results can provide a perspective for further understanding the mechanism of generating nanopores in graphene.The clusters used here may also bring about some potential utilities in tie functionalization of graphene and the production of nanopores.
