School of Transportation and Civil Engineering, Nantong University, Nantong 226019, China.
School of Scienece, Nantong University, Nantong 226019, China.
Int J Mol Sci. 2021 May 1;22(9):4814. doi: 10.3390/ijms22094814.
With the distinguished properties in electronics, thermal conductivity, optical transparence and mechanics, graphene has a powerful potential in nanosensors, nano-resonators, supercapacitors, batteries, etc. The resonant frequency of graphene is an important factor in its application and working environment. However, the random dispersed porosities in graphene evidently change the lattice structure and destroy the integrity and geometrical periodicity. This paper focuses on the effects of random porosities in resonant frequencies of graphene. Monte Carlo simulation is applied to propagate the porosities in the finite element model of pristine graphene. The statistical results and probability density distribution of porous graphene with atomic vacancy defects are computed based on the Monte Carlo finite element model. The results of porous graphene with atomic vacancy defects are compared and discussed with the results of graphene with bond vacancy defects. The enhancement effects of atomic vacancy defects are confirmed in porous graphene. The influences of atomic vacancy defects on displacement and rotation vector sums of porous graphene are more concentrated in local places.
具有出色电子、热导率、光学透明性和机械性能的石墨烯，在纳米传感器、纳米谐振器、超级电容器、电池等领域具有强大的潜力。石墨烯的共振频率是其应用和工作环境的一个重要因素。然而，石墨烯中随机分散的孔隙明显改变了晶格结构，破坏了完整性和几何周期性。本文重点研究了随机孔隙对石墨烯共振频率的影响。蒙特卡罗模拟被应用于传播原始石墨烯有限元模型中的孔隙。基于蒙特卡罗有限元模型，计算了具有原子空位缺陷的多孔石墨烯的统计结果和概率密度分布。将具有原子空位缺陷的多孔石墨烯的结果与具有键空位缺陷的石墨烯的结果进行了比较和讨论。证实了原子空位缺陷对多孔石墨烯的增强作用。原子空位缺陷对多孔石墨烯的位移和旋转向量和的影响更集中在局部位置。
