Research Article
DFT Calculations of Hydrogen Adsorption inside Single-Walled Carbon Nanotubes
Figure 2
Interaction energies (Ei,m, m = 1–10) for the insertion of a hydrogen molecule into (3,3)–(8,8) SWCNTs perpendicularly (♦, blue) and in parallel (■, magenta) with the nanotube axis as a function of d. (a) (3,3) SWCNT. (b) (4,4) SWCNT. (c) (5,5) SWCNT. (d) (6,6) SWCNT. (e) (7,7) SWCNT. (f) (8,8) SWCNT.
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