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عنوان
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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]
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چکیده
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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.
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