Fig. 3: Energy band diagrams of 2DCP-MPcs.
a,b, Electronic band structures and PDOS (Cp, Np, Op and Cu/Nid) of 2DCP-NiPc (a) and 2DCP-CuPc (b) monolayers. c,d, Electronic band structures and PDOS of the slipped-AA-stacked 2DCP-NiPc (c) and 2DCP-CuPc (d). The Fermi energy is shifted to 0 eV.
