论文标题
评论二维多孔石墨氮化碳C6N7单层：第一原理计算[Appl。物理。 Lett。 2021，119，142102]
Comment on Two-dimensional porous graphitic carbon nitride C6N7 monolayer: First-principles calculations [Appl. Phys. Lett. 2021, 119, 142102]
论文作者
论文摘要
最近，Bafekry等。 [应用。物理。 Lett。 119，142102（2021）]报告了其密度功能理论（DFT）的结果，结果是新型C6N7单层的弹性常数。他们预测，C6N7单层的非常软的弹性模量为36.29 GPA，对于碳二硝酸盐2D晶格的弹性模量非常低。使用DFT计算，我们预测该单层的弹性模量为267 GPA。预计最大拉伸强度为20.5 GPA，揭示了C6N7单层的出色机械性能。
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.
