There are numerous literatures available regarding image-charge correction schemes, including those proposed by Makov and Payne, Freysoldt, Neugebauer, and Van de Walle, Lany and Zunger , and Kumagai and Oba . The main principle behind these correction schemes is that the correction terms consist of two elements: long-range Coulomb interactions and the effect of finite defect size, also referred to as the alignment-like term. However, these supercell artifacts which may be eliminated through these correction schemes hold true only for bulk systems, and are unfortunately, not directly applicable in repeated-slab models (i.e., the surface of interest for catalytic reactions). Essentially, the discrepancy mainly comes from the inhomogeneous environment in the slab models, needing different mathematical approaches to evaluate the two mentioned correction terms. Therefore, the a posteriori image-charge correction schemes for bulk materials are no longer applicable in 2D models owing to the inhomogeneous dielectric environment. Again, we remind the readers that the main objective of this Comment is to raise awareness of the best practices for defects modelling in surface catalysis. We will not go into detail the finer art of formulating and implementing these schemes as many others have done so. Metastable configuration. Thus far, the local optimization of typical defect calculations has always been conducted assuming that the defect species are in ground-state configurations.