ΔGls is the Gibbs free energy of the rate-determining step. n is the number of electrons transferred in the step. F is the Faraday constant (96485 C). E0 is the equilibrium potential of the ORR The code adopted for calculating the HER overpotential is given below; The observed alternating 120° bond angles across the azomethine group in the Schiff base ligand are indicative of a planar sp 2 hybridization, which is characteristic of imine functional groups. This planar geometry arises from the delocalization of π-electrons within the C=N bond, ensuring resonance stabilization throughout the ligand framework. The symmetrical arrangement of these angles reflects the electronic distribution around the azomethine group, minimizing steric hindrance and maximizing conjugative interactions. Additionally, the 120° angles are consistent with the trigonal planar geometry often associated with carbon and nitrogen atoms in sp 2 hybridized systems, a feature critical for maintaining the structural integrity and electronic communication within the Schiff base ligand.