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.
ASJC Scopus subject areas