Correction to “The Melamine-Driven Solvation Effect Promotes Oxygen Reduction on Platinum Catalyst: Machine Learning-Aided Free Energy Calculations”

Abstract

In our original manuscript, we inadvertently used base-10 logarithms instead of natural logarithms in implementing eqs (S32) and (S33) of the Supporting Information, which are used to calculate the vibrational quantum correction for the hydrogen atom bonded to water. This error resulted in an overestimation of the free energy of the hydrogen atom by approximately 60 meV, thereby lowering the redox potential U_OH associated with OH adsorption on Pt catalysts both with and without melamine, as well as on various Pt alloys by 60 mV, shown in Figure 3 (a). A corrected version of Figure 3 (a), along with updated vibrational quantum correction values in Table S3 of the Supporting Information, is provided below. Since the evaluation of catalytic activity in our study relied on relative differences in U_OH among the Pt catalysts, this uniform shift in absolute values does not alter the other results presented. Consequently, the main conclusions of the study remain unaffected. Nonetheless, the corrected absolute value of U_OH, for instance, on Pt(111) increases from 0.40 to 0.46 V vs SHE, bringing it closer to the experimental reference value of 0.6 V vs SHE in ref. [14] of the original manuscript. Figure 3. (a) Redox potentials versus SHE for reaction 5 on Pt(111), Pt(111) with melamine, Pt/Pt₂Cu/Pt(111), Pt/PtCu₂/Pt(111), and Pt/Cu/Pt(111) surfaces obtained from TI calculations. The units of free energy and vibrational frequencies are eV and cm^–1, respectively. Corrected values are indicated in bold. This article has not yet been cited by other publications.