Fig. 5

(a) Schematic diagram of the N atom in NiPdN6-A2 that can be replaced by O atom. The pink and green balls denote H and C atoms, respectively. (b) Formation energy for the O doped NiPdN6-A2 structure.

(a) Schematic diagram of the N atom in NiPdN6-A2 that can be replaced by O atom. The pink and green balls denote H and C atoms, respectively. (b) Formation energy for the O doped NiPdN6-A2 structure.