Journal of Nanomaterials / 2012 / Article / Fig 19

Review Article

Atomistic Modeling of Gas Adsorption in Nanocarbons

Figure 19

The calculated local density of states (LDOS) for C35B(Be)–H2 (a)–(d). The B(Be) and the H2 LDOS are solid lines and open circles, respectively. Squared differences between the nonbonding and bonding states due to H2 sorption (e) and (f). From [23]; copyright 2006 by the American Physical Society.
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(a) Nonbonding
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(b) Nonbonding
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(c) Bonding
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(d) Bonding
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(e) Carbon
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(f) Carbon