The higher negative surface energy of the Ni (II) complex indicates its superior ability to stabilize intermediate species during HER, which is crucial for reducing the activation energy of the reaction. Furthermore, the strong interaction between the Nickel surface and reactants can lead to enhanced charge transfer and more effective proton reduction. In contrast, the lower surface energy of the Co (II) complex suggests comparatively less efficient catalytic behavior due to weaker interactions and potentially slower electron transfer dynamics.