Density functional theory study on the modification of silicon nitride surface by fluorine-containing molecules (vol 554, 149481, 2021)

Abstract

The authors regret an incorrect activation energy value in Table 1. When constructing Table 1, we used the activation energy value taken from the reference [1] for the fluorination reaction of silicon oxide with HF. However, the value was corrected from 0.18 eV to 0.77 eV in the erratum [2]. Therefore, we would like to provide the new Table 1 with the corrected value. The third sentence in the second paragraph of page 8 should now read, as follows: The EA values for the fluorination reaction of silicon oxide and silicon surfaces by HF were 0.77 eV and 1.22 eV, as presented in the previous report [22], while it is 2.07 eV for silicon nitride as determined in the present work”. Also, the third sentence of the fourth paragraph of page 8 should now read, as follows: In the TS on the silicon oxide or silicon substrate, a four-membered ring (–Si–O–H–F–) geometry is formed, or the HF is bonded to SiH* to form SiH2F* [22]. These corrections do not change the overall conclusion of the paper. The authors would like to apologize for any inconvenience caused. © 2021 Elsevier B.V.