with ∆𝐺 𝑖 0 being the reaction free energy of step 𝑖 under the standard conditions, which can be obtained from first-principles calculations and thermodynamic modeling, as implemented in the computational hydrogen electrode scheme of Nørskov and coelleagues. Additionally, recent studies underscore the significance of lateral interactions, electric field, or electrode surface charge in influencing the Gibbs free energies of adsorbates. These effects can be incorporated into this framework by introducing the term ∆∆𝐺 𝑖 , which is a function of coverages, surface charge density or electric field.