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]

authored by
Fazel Shojaei, Bohayra Mortazavi, Masoud Shahrokhi
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.

Organisation(s)
Institute of Photonics
PhoenixD: Photonics, Optics, and Engineering - Innovation Across Disciplines
External Organisation(s)
Persian Gulf University
Type
Commentary in journal
Journal
Applied surface science
Volume
596
ISSN
0169-4332
Publication date
15.09.2022
Publication status
Published
Peer reviewed
Yes
ASJC Scopus subject areas
General Chemistry, Condensed Matter Physics, General Physics and Astronomy, Surfaces and Interfaces, Surfaces, Coatings and Films
Electronic version(s)
https://doi.org/10.1016/j.apsusc.2022.153515 (Access: Closed)