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arXiv · 2204.10557

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

Bohayra Mortazavi·Fazel Shojaei·and Masoud Shahrokhi
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Abstract

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.

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Bohayra Mortazavi, Fazel Shojaei, and Masoud Shahrokhi. 2022-04-22. Comment on Two-dimensional porous graphitic carbon nitride C6N7 monolayer: First-principles calculations [Appl. Phys. Lett. 2021, 119, 142102]. https://arxiv.org/abs/2204.10557

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