The Gibbs Free Energy: The N-Pt-N coordinated phenalene model is anticipated to exhibit enhanced catalytic efficiency for hydrogen evolution due to the synergistic interaction between platinum and nitrogen. The nitrogen coordination plays a pivotal role in tuning the electronic properties of platinum by donating electron density, which facilitates the adsorption and activation of protons (H⁺) on the platinum surface. This effect is expected to lower the energy required for proton reduction, thereby enhancing the proton-to-hydrogen transition (H⁺ → H) and stabilizing hydrogen intermediates. By optimizing the Pt-H interaction, nitrogen coordination provides a mechanism to increase the effective hydrogen binding strength, a critical factor for enhancing the overall kinetics of the HER. Given the modest Gibbs free energy difference between H⁺ and H (ΔG ≈ -0.082 eV), the nitrogen-facilitated electron donation to platinum is predicted to efficiently minimize the activation barrier (Figure ) for proton reduction and accelerate the reaction rate.