In this work, we focus on the Volmer-Tafel pathway, acknowledging the possibility of coexisting mechanisms, and present an advanced dynamic computational framework to model the reaction energetics of this process as we optimize the rate determining step via thermodynamic -entropy interventaion. While revisiting the Volmer-Heyrovsky mechanism with a similar dynamic modeling approach is certainly of interest, it is beyond the scope of this study and would require separate, dedicated research. Irrespective of the prevalent mechanism, the initial proton electrosorption proceeds through the Volmer reaction in which a solvated proton [(H2O)n-H] + adsorbs to the electrode surface according to 𝐾𝑣 [(H2O)n -H] + + 𝑒 -= * + (𝐻2O)𝑛 (6) 𝐾-𝑣 where kV and k-V are the rate constants of the forward and reverse reactions, respectively.