ADDITION/CORRECTION pubs.acs.org/JPCC
Correction to “First Principles Study of the LiNH2/Li2NH Transformation” Giacomo Miceli, Clotilde S. Cucinotta, Marco Bernasconi,* and Michele Parrinello J. Phys. Chem. C 2010, 114, 15174–15183. DOI: 10.1021/jp100723p The formation energy of the unbound Li Frenkel pair (two isolated defects) in the most favorable configuration is 1.42 eV and not 1.60 eV as erroneously reported in our article. The energy of 1.42 eV corresponds to the configuration described in the article with Li interstitial in site int1 and Li vacancy in site vac1 in Figure 3.
Published: January 17, 2012 2645
dx.doi.org/10.1021/jp212061s | J. Phys. Chem. C 2012, 116, 2645–2645
