Comment on "Computational study of H[Formula: see text]S adsorption on the pristine and transitional metal-doped phosphorene".

In a recent paper, Molaei et al. (J Mol Model 27:181-188, 2021) studied the H[Formula: see text]S gas adsorption on transition metal (TM) doped phosphorene monolayer using the density functional theory. They claimed that Ti-, V-, Fe- and Sc-doped phosphorene systems are more favorable than the other doped systems. Their electronic calculations showed that they did not consider spin-polarized calculations for TM doped structures. Here, we present all spin-polarized electronic calculations based on generalized gradient approximation (GGA) and GGA plus Hubbard correction (GGA+U). Our results reveal that doped systems are magnetic and thus spin-polarized effect must be considered in these structures.