Correction: “First-Principles Investigation of Surface pKa and the Behavior of Acids at Aqueous–Metal Interfaces”

Abstract

The calculated surface pK_a (*pK_a) values were originally underestimated (contained in Table 1, Table 2, Table 3, Table S4 and Figure 2), and the corrected values are given in Table 1 and the corrected Figure 2 below. The correction in values is due to the usage of the incorrect value of gas constant R in eq 10 for calculating *pK_a. The recalculated values shifted toward lower values than the previous values, and it shows the strong acid behavior of weak acids on the metal–aqueous interface than those in the homogeneous solution. Hence, the corrections do not change the data conclusion in the original manuscript. Figure 2. Corrected *pK_a of acids on M(111) surfaces. The *pK_a cannot be calculated on the Au surface as H₃O⁺ is not adsorbed on the Au surface. The *pK_a at 0.019 particle/Å coverage is −10.62 and at 0.038 particle/Å coverage is 8.68. This article has not yet been cited by other publications.