New potential model for atomic-scale peeling of armchair graphene: toward understanding of micrometer-scale peeling†,Materials Chemistry Frontiers

当前位置： X-MOL 学术 › Mater. Chem. Front. › 论文详情

Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)

New potential model for atomic-scale peeling of armchair graphene: toward understanding of micrometer-scale peeling†
Materials Chemistry Frontiers ( IF 6.0 ) Pub Date : 2018-09-18 00:00:00 , DOI: 10.1039/c8qm00267c
Ryoji Okamoto _{1,

2,

3,

4,

5} , Koki Yamasaki _{1,

2,

3,

4,

5} , Naruo Sasaki _{1,

2,

3,

4,

5}

Affiliation

We developed a new potential model to simulate the adhesive characteristics of the peeling process of an armchair-type graphene sheet from a frictionless graphite substrate surface. First the transition of the shape of the graphene sheet and the vertical force curve during the peeling process obtained by this model successfully reproduced those obtained by our previous model. The computation time by this potential model is reduced to 1/6400 compared to that by our previous model. Next this potential model was extended to include the effective stiffness of atomic force microscopy (AFM) which consists of the stiffness of the cantilever, tip and contact region. A characteristic step structure of the vertical force curve is obtained by the extended model. Our approach opens new directions for multiscale physics of the peeling process of a π-conjugated sheet from atomic-scale to micrometer-scale, and interpretation of force-spectroscopy observed by AFM.

中文翻译：

扶手椅石墨烯原子级剥离的新势能模型：对微米级剥离的理解†

我们开发了一种新的电势模型，以模拟扶手椅型石墨烯片从无摩擦石墨基材表面剥离过程的粘合特性。首先，通过该模型获得的在剥离过程中石墨烯片的形状和垂直力曲线的转变成功地再现了我们先前模型获得的那些。与我们以前的模型相比，该潜在模型的计算时间减少到1/6400。接下来，这个潜在的模型扩展到包括原子力显微镜（AFM）的有效刚度，该有效刚度由悬臂，尖端和接触区域的刚度组成。通过扩展模型获得了垂直力曲线的特征阶梯结构。

更新日期：2018-09-18

点击分享查看原文

点击收藏

阅读更多本刊最新论文