Topological defects embedded large-sized single-walled carbon nanotubes for hydrogen storage: A molecular dynamics study
Investigation on the performance of large-sized single-walled carbon nanotubes (SWCNTs) incorporated with mono vacancy (MV), double vacancy (DV), and Stone-Wales (SW) topological defects as a medium for hydrogen adsorption using molecular dynamics (MD) simulations. A novel potential energy distribution (PED) method was employed with MD simulations to determine the adsorbed hydrogen molecules and associated binding energy.
