Physics Department, Zanjan University, Zanjan, I. R. Iran
In this study, we have investigated radius dependence of hydrogen storage within armchair (n,n) single walled carbon nanotubes (SWCNT) in a square arrays. To this aim, we have employed equilibrium molecular dynamics (MD) simulation. Our simulations results reveal that radius of carbon nanotubes are an important and influent factor in hydrogen distribution inside carbon nanotubes and consequently in amount of hydrogen stored in carbon nanotube array. Moreover, our results show that the SWCNTs with radius smaller than (5, 5) SWCNTs, do not have the ability of adsorption and storage of hydrogen inside themselves.