DFT Calculations of Hydrogen Adsorption inside Single-Walled Carbon Nanotubes

<div>Perpendicular (a) and parallel (b) orientations of an H<sub>2</sub> molecule in relation to the axis of (5,5) SWCNT as an example. Small balls (blue) are hydrogen, and large balls (yellow) are carbon.</div>

Advances in Materials Science and Engineering

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Figure 1

Figure 1: DFT Calculations of Hydrogen Adsorption inside Single-Walled Carbon Nanotubes 