Correction to: A density functional + U assessment of oxygen evolution reaction mechanisms on β-NiOOH (ACS Catalysis (2017) 7:8 (5329-5339) DOI: 10.1021/acscatal.7b00999)

Alexander J. Tkalych, Houlong L. Zhuang, Emily A. Carter

Research output: Contribution to journalComment/debate

4 Scopus citations

Abstract

The surface area normalization (2A term) was inadvertently neglected in the evaluation of the solvated surface slab energies. The equation appearing in the results section (p. 5333): Einterface = Esolvation - Evacuum + Esurface in which Esurface is the area-normalized surface energy in J/m2, while (Esolvation - Evacuum) was mistakenly evaluated as the solvation energy in eV. Therefore, the equation should be corrected as E = 1/2 (Einterface Esolvation vacuum) surface where (Esolvation - Evacuum) is in J and 2A is in m2. This error consequently renders the data in Table 1 concerning surface energies in water (column 3) incorrect.

Original languageEnglish (US)
Number of pages1
JournalACS Catalysis
Volume8
Issue number7
DOIs
StatePublished - Jul 6 2018

All Science Journal Classification (ASJC) codes

  • Catalysis

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