Movement of hydrogen molecules in pristine, hydrogenated and nitrogen-doped single-walled carbon nanotubes

Nitrogen-Containing Carbon Nanotubes. A Theoretical Approach

“…Zhang & Cho, 2007). Hydrogen molecules can diffuse inside nitrogen-doped zigzag (10,0), chiral (7,5) and armchair (6,6) nanotubes (with diameters of approximately 8 Å), as indicated by molecular dynamics simulation (Oh et al, 2008), suggesting that these nitrogen-doped nanostructures could be applied as effective media for the storage of hydrogen molecules. However there has not been any publication estimating the amount (wt.…”