Erratum: Hydrolysis of Acetamide on Low-Index CeO2 Surfaces: Ceria as a Deamidation and General De-esterification Catalyst (ACS Catal. (2022) 12:16 (10222−10234) DOI: 10.1021/acscatal.2c02514)

Document Type

Article

Publication Date

6-2-2023

Abstract

Figure 5 of the original article contains an error. The error was due to the use of gas-phase NH3 in the calculation of state (i,k‡ l). Adsorbed NH3 should have been used instead because this state occurs prior to NH3 desorption. The error resulted in much larger activation barriers for OH attack on acetyl being depicted in the original Figure 5 for the three facets of ceria. They appear comparable to the barriers of acetic acid desorption, which is inconsistent with the conclusion that product desorption is rate-limiting in this reaction at ambient temperature. The corrected version is shown below with the same caption as before. State (i,k‡ l) is now revised to include NH3 adsorbed at infinite separation from the transition state k‡ l. As can be seen, and as can be verified with entry k → l, Table 2 of the original article, the OH attack is not a kinetically relevant step in this reaction. All other states in Figure 5 have the correct energies..

Publication Source (Journal or Book title)

ACS Catalysis

First Page

7606

Last Page

7607

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