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原子力显微镜和密度泛函理论研究石墨烯悬臂梁的力学性能。

Mechanical properties of graphene cantilever from atomic force microscopy and density functional theory.

机构信息

Department of Physics, Sharif University of Technology, PO Box 11365-9161, Tehran, Iran.

出版信息

Nanotechnology. 2010 May 7;21(18):185503. doi: 10.1088/0957-4484/21/18/185503. Epub 2010 Apr 14.

DOI:10.1088/0957-4484/21/18/185503
PMID:20388969
Abstract

We have studied the mechanical properties of a few-layer graphene cantilever (FLGC) using atomic force microscopy (AFM). The mechanical properties of the suspended FLGC over an open hole have been derived from the AFM data. Force displacement curves using the Derjaguin-Müller-Toporov (DMT) and the massless cantilever beam models yield a Young modulus of E(c) approximately 37, E(a) approximately 0.7 TPa and a Hamakar constant of approximately 3 x 10( - 18) J. The threshold force to shear the FLGC was determined from a breaking force and modeling. In addition, we studied a graphene nanoribbon (GNR), which is a system similar to the FLGC; using density functional theory (DFT). The in-plane Young's modulus for the GNRs were calculated from the DFT outcomes approximately 0.82 TPa and the results were compared with the experiment. We found that the Young's modulus and the threshold shearing force are dependent on the direction of applied force and the values are different for zigzag edge and armchair edge GNRs.

摘要

我们使用原子力显微镜(AFM)研究了几层石墨烯悬臂梁(FLGC)的力学性能。从 AFM 数据中得出了悬空 FLGC 上的开孔的力学性能。使用 Derjaguin-Müller-Toporov(DMT)和无质量悬臂梁模型的力位移曲线得出杨氏模量 E(c)约为 37,E(a)约为 0.7 TPa 和 Hamakar 常数约为 3 x 10(-18) J。从断裂力和建模确定了剪切 FLGC 的阈值力。此外,我们还使用密度泛函理论(DFT)研究了类似于 FLGC 的石墨烯纳米带(GNR)系统。从 DFT 结果中计算出 GNR 的面内杨氏模量约为 0.82 TPa,并将结果与实验进行了比较。我们发现杨氏模量和剪切阈值力取决于所施加力的方向,锯齿形边缘和扶手椅形边缘 GNR 的值不同。

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