Atomistic Modeling of Gas Adsorption in Nanocarbons

Figure 8

Electricfield associated with neutral and charged fullerenes, C^𝑞₂₈ (𝑞=−2,0,+2) at the center of a hydrogen molecule located on top of hexagonal ring (a). Hydrogen charge variations induced by an electric field of 2×10¹⁰ V/m parallel (b) and perpendicular (c) to the molecule axis. From [22].

(a)

(b)

(c)