Comment on “Ab-initio-driven prediction of puckered penta-like PdPSeX (X = O, S, Te) Janus monolayers: Study on the electronic, optical, mechanical and photocatalytic properties”. [Appl. Surf. Sci. 582 (2022) 152356], By Fazel Shojaei

Research

Title	Comment on “Ab-initio-driven prediction of puckered penta-like PdPSeX (X = O, S, Te) Janus monolayers: Study on the electronic, optical, mechanical and photocatalytic properties”. [Appl. Surf. Sci. 582 (2022) 152356]
Type	Article
Keywords	Penta-PdPSe DFT Janus monolayers Elastic
Journal	APPLIED SURFACE SCIENCE
DOI	/10.1016/j.apsusc.2022.153515
Researchers	Fazel Shojaei (First researcher) , Bohayra Mortazavi (Second researcher) , Masoud Shahrokhi (Third researcher)

Abstract

Recently, Bafekry et al. [Applied Surface Science 582 (2022) 152356] presented their density functional theory (DFT) results on the electronic, optical and elastic properties of the Pd4P4Se2X2 (X = O, S, Te) Janus monolayers. The aforementioned theoretical work however includes errors in introducing the structures, evaluation of electronic band structures and predicted elastic constants, as will be discussed in this comment.