Abstract:In this work, we present a detailed mechanistic study of HER at the sulfur vacancy Vs. We evaluate the Volmer, Tafel, and Heyrovsky transition states for the different possible reaction steps, considering the activation energy as a function of electrochemical potential. The results show that the Volmer and Heyrovsky steps depend on the electrochemical value and the activation energies decrease for more negative potential values, while this is not the case for the Tafel step, where the activation energy is esse… Show more
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