The Investigation of Adsorption Behavior of Gas Molecules on FeN₃-Doped Graphene

Figure 1

The top view (a) and side view (b) of FeN₃-gra configuration; the top view (c) and side view (d) of the corresponding spin density distribution (spin up (yellow) and spin down (cyan); isosurface value: 0.01 e/Bohr³).

(a)

(b)

(c)

(d)