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 Zhuang; Emily A. Carter

doi:10.1021/acscatal.8b01775

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 Zhuang, Emily A. Carter

Research output: Contribution to journal › Comment/debate › peer-review

8 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 language	English (US)
Pages (from-to)	6070
Number of pages	1
Journal	ACS Catalysis
Volume	8
Issue number	7
DOIs	https://doi.org/10.1021/acscatal.8b01775
State	Published - Jul 6 2018

ASJC Scopus subject areas

Catalysis
General Chemistry

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title = "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)",

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.",

author = "Tkalych, {Alexander J.} and Houlong Zhuang and Carter, {Emily A.}",

year = "2018",

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T2 - 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)

AU - Tkalych, Alexander J.

AU - Zhuang, Houlong

AU - Carter, Emily A.

PY - 2018/7/6

Y1 - 2018/7/6

N2 - 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.

AB - 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.

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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)

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