Correction: Energetics, barriers and vibrational spectra of partially and fully hydrogenated hexagonal boron nitride

Abstract

Correction for ‘Energetics, barriers and vibrational spectra of partially and fully hydrogenated hexagonal boron nitride’ by J. M. H. Kroes et al., Phys. Chem. Chem. Phys., 2016, 18, 19359–19367.

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We would like to inform the reader of a correction that needs to be made to our previous publication. The bending rigidity, κ, is incorrectly reported to be 1.26 eV on page 19364 and in a label in Fig. 9. The correct value is 0.96 eV.

Thus the correct sentence should read “For pristine h-BN κ is found to be 0.96 eV.”

The corrected version of Fig. 9 is given below.

Fig. 9 Dependence of the ZA mode for pristine h-BN near Γ (M direction) on q (left) or q² (right). In black, results for the optimized cell showing ω ∝ q². The red curve shows the ω ∝ q behaviour in a 0.2% larger cell.

The Royal Society of Chemistry apologises for these errors and any consequent inconvenience to authors and readers.

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