Figure 3. The NGnP with edge 5-membered pyrazole rings.
(a) the model structure; (b) the PDOS for N atoms. The NGnP with edge 6-membered pyridazine rings: (c) the model structure; (d) the PDOS for N atoms. The isosurfaces of the squared Kohn-Sham orbitals of edge-localized states are shown in the insets.