The Effect of Ion Irradiation Density on the Defect of Graphene: A Molecular Dynamics Study

This paper analyzes graphene irradiation effects using a molecular dynamic simulation software, large-scale atomic / molecular massively parallel simulator (LAMMPS). We propose a hypothesis for the effective range of incident ions based on simulation results of irradiation effects that were found us...

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Bibliographic Details
Main Authors: Jinfu Lin, Shulong Wang, Hongxia Liu, Kai Yin, Lei Wu, and Wei Li
Format: Article
Language:English
Published: MDPI AG 2020-03-01
Series:Crystals
Subjects:
Online Access:https://www.mdpi.com/2073-4352/10/3/158
Description
Summary:This paper analyzes graphene irradiation effects using a molecular dynamic simulation software, large-scale atomic / molecular massively parallel simulator (LAMMPS). We propose a hypothesis for the effective range of incident ions based on simulation results of irradiation effects that were found using a suspended single-layer graphene. This explains the influence mechanism of irradiation density on the degree of material defects. This paper does key research on how copper substrate influences a single- and bi-layer graphene. The results show that for a single-layer graphene (SLG) the substrate increases the effective range of the incident ions. Within a certain range of the irradiation density, the substrate enhances the defect production on graphene in low-energy irradiation (<5 keV). However, due to the shielding effect of the substrate, the overall trend of graphene damage will be reduced. For the bi-layer graphene (BLG), the effect of the indirect action range is more obvious than that of the direct-action range. In the case of low irradiation density, the knock-on atoms of BLG are much less than suspended SLG.
ISSN:2073-4352