Materials applications of carbon nanotubes: Hydrogen storage and polymer composites

The load transfer mechanisms in carbon nanotubes-strengthened composite polymers were studied using large-scale molecular dynamics simulations. The Raman shift of internal hydrogen nanotubes behaved differently from that of intercalated hydrogen nanotubes. A monotonically increasing Raman frequency was observed with increasing tube size for internal hydrogen, whereas a broadened band with frequency independent of tube size was observed for intercalated hydrogen. The Raman shift did not act as an indicator of the hydrogen placement among the nanotubes yielding promising trends for future experimental verification.