Fig. 4 | Nature Communications

Fig. 4

From: Single-atom cobalt array bound to distorted 1T MoS2 with ensemble effect for hydrogen evolution catalysis

Fig. 4

Theoretical calculation of SA Co-D 1T MoS2 for HER. a Calculated Co projected d-density of states for different coverage. b Calculated free-energy diagram for HER at a potential of U = 0 relative to the standard hydrogen electrode at pH = 0 for different atomic Co loading amounts. c Hydrogen adsorption modes on the single-atom Co-MoS2 3 × 3 case. d The electron density difference of 3 × 3 case and e the electron charge of Co and S adjacent to Co as a function of Co coverage

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