Atomistic Modeling of Gas Adsorption in Nanocarbons
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 ; copyright 2006 by the American Physical Society.