In contrast, the higher energy (+0.99 eV) requirement at hollow sites is likely due to the strong multi-atom coordination of oxygen with surface Fe atoms. The influence of applied potential on the water dissociation pathway is provided in Figure . This simulation was conducted by adjusting the system's charge with small increments of +/-0.2e and 0.5e, and self-consistent field (SCF) calculations were performed to assess the energy landscape changes with potential. This approach assumes that the geometrical changes due to small charge variations are small and negligible. The general trend observed across all three plots is that the transition state energies continuously rise as the potential becomes more positive, indicating an increasing energy barrier for water dissociation. Similarly, the final state energies also increase, but to a lesser extent than the transition state energies, suggesting that the water dissociation products become less stable at higher potentials.