Atomistic Modeling of Gas Adsorption in Nanocarbons
Figure 27
Structural schematics and binding energies for a transition metal occupied monovacancy (blue), divacancy I (green) or divacancy II (red) in a (6, 6) carbon nanotube. Binding energies of carbon atoms in the same sites are indicated as horizontal lines with the same color code. From [55]; copyright 2010 by the American Physical Society.
