Fig. 6: DFT calculated density of states (DOS) with corresponding optimized structures.

Structure representations of a Co-Ni-S-Se, b Co-Ru-S-Se, c Co-Ni-Ru-S-Se. d–f their calculated DOS, the black dotted line marks the DOS at Fermi level.
Structure representations of a Co-Ni-S-Se, b Co-Ru-S-Se, c Co-Ni-Ru-S-Se. d–f their calculated DOS, the black dotted line marks the DOS at Fermi level.