Correction: The effect of particle size on the optical and electronic properties of hydrogenated silicon nanoparticles

Abstract

Correction for ‘The effect of particle size on the optical and electronic properties of hydrogenated silicon nanoparticles’ by Eimear Madden et al., Phys. Chem. Chem. Phys., 2024, 26, 11695–11707, https://doi.org/10.1039/D4CP00119B.

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The authors would like to update some data reported in Fig. 6. The evGW-BSE oscillator strength value for Si₃₅H₃₆ was taken from a calculation in C₁ rather than one using the D₂ point group used for all other datapoints in the figure. The C₁ and D₂ predicted oscillator strength values differ only slightly, difference 2.5 × 10⁻³, however, because of the logarithmic scale this makes a noticeable difference to the figure. The corrected Fig. 6 is presented below.

Fig. 6 Log of the predicted oscillator strengths of various excitations of SiNPs. The blue circles represent the sum of the oscillator strengths for the excitation energies which lie within 0.5 eV of the lowest excitation for each SiNP, calculated using TDDFT. The grey stars represent the sum of the oscillator strengths for the excitations which lie within 0.2 eV of the lowest excitation for each SiNP, calculated using TDDFT. The green squares represent the oscillator strength of the lowest excitation for each SiNP calculated using TDDFT. The orange triangles represent the oscillator strength of the lowest excitation for each SiNP calculated using evGW-BSE. All calculations used the B3LYP functional and the def2-SVP basis-set.

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

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