Fig. 4

Kondo mechanism. a Calculated geometries of isolated TBrPP-Co (1), TBrPP-Co adsorbs on Au(111) (2), TBrPP-Co adsorbs on AGNR/Au(111) (3) and TBrPP-Co located at 7.5 Å above Au(111) surface (4) after removing the AGNR sheet in between. b Spin-polarized Co d _z ² density of states of the TBrPP-Co corresponding to a: gas-phase (1), on Au(111) (2), on AGNR/Au(111) (3) and at 7.5 Å above Au(111) surface (4). c Atomic SP-PDOS of Co d _z ² and N p-orbitals for TBrPP-Co adsorbs on top site of Au(111). d Atomic SP-PDOS of Co d _z ², N p, and C p _z orbitals in AGNR for the TBrPP-Co/AGNR/Au(111) heterostructure. Positive and negative DOS correspond to spin-up and spin-down components, respectively