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Comment on Two-dimensional porous graphitic carbon nitride C6N7 monolayer: First-principles calculations [Appl. Phys. Lett. 2021, 119, 142102]

Recently, Bafekry et al. [Appl. Phys. Lett. 119, 142102 (2021)] reported their density functional theory (DFT) results on the elastic constants of a novel C6N7 monolayer. They predicted a very soft elastic modulus of 36.29 GPa for the C6N7 monolayer, which is remarkably low for carbon-nitride 2D lattices. Using DFT calculations, we predict a remarkably higher elastic modulus of 267 GPa for this monolayer. The maximum tensile strength is also predicted to be 20.5 GPa, revealing the outstanding mechanical properties of the C6N7 monolayer.

preprint2022arXivOpen access
Bohayra MortazaviFazel Shojaeiand Masoud Shahrokhi
cond-mat.mtrl-sci
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Bohayra MortazaviFazel Shojaeiand Masoud Shahrokhi

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