The Co (II) complex follows a different thermodynamic profile, where hydroperoxide has zero Gibbs free energy, indicating it as the energetically neutral intermediate. However, the subsequent formation of hydroxide ion (OH -) is highly exergonic, with a Gibbs free energy of -4.94901 kJol/Mol, implying a significant thermodynamic driving force but at the expense of requiring higher energy for preceding steps. The intermediate oxygen radical (O*) has a Gibbs free energy of -1.08904 kJol/Mol, highlighting a higher energy barrier relative to the Ni (II) pathway. Additionally, molecular oxygen O 2 with a Gibbs free energy of 0.10208 kJol/Mol points to a less favorable adsorption process compared to Ni (II). The elevated energy barriers in the Co (II) pathway indicate a less efficient reaction mechanism with a higher overpotential and slower kinetics.