Figure: The energy change associated with hydrogen removal from silicon carbide nanotubes (IMAGE)
Caption
The graph shows the variation of system energy with the distance of a hydrogen molecule from the surface of a silicon carbide nanotube (bottom right). The depth of the curve signifies the energy required to extract hydrogen from storage. A comparison of prediction methods is presented, with DMC being the most accurate and vdW-DF2 being its closest match.
Credit
Kenta Hongo from JAIST.
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