摘要
采用非平衡分子动力学方法,通过分别控制温度和速度的方式研究了C60轰击石墨烯的瞬间动力学,研究表明,无论温度如何变化,C60在低速轰击石墨烯时都不能击穿石墨烯,但在高速轰击石墨烯时都能击穿石墨烯,并不受温度影响,对于在低速与高速的过渡段,发现C60击穿石墨烯的概率会随着温度的提升而呈现增加的趋势,导致此现象的原因是在高温时C60破坏石墨烯C—C键的概率更高,C60轰击石墨烯的动力学在石墨烯表面清理和纳米孔制备方面有潜在应用。
Using non-equilibrium molecular dynamics method, we study the transient kinetics of graphene bombarded by fullerene through controlling the temperature and velocity. Our results show that fullerene （C60） with low velocity cannot pass through graphene at any temperature. However C60 with high velocity can pass through graphene at any temperature. Between low velocity and high velocity, we find that the probability of C60 passing through graphene increases with temperature, the reason is that the probability of destroying carbon-carbon bond at high temperature is higher than at low temperature. In this paper, we also discuss the potential applications in the surface cleaning of graphene and the production of nanopore.
出处
《物理学报》
SCIE
EI
CAS
CSCD
北大核心
2014年第8期111-117,共7页
Acta Physica Sinica
基金
国家自然科学基金(批准号:11004082)
广东省自然科学基金(批准号:01005249)资助的课题~~
