Abstract
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.
Highlights
Graphene is a two-dimensional (2D) atomic crystal formed by a single layer of carbon atoms and arranged in a hexagonal honeycomb structure with sp2 hybrid orbitals [1]
Special experimental phenomena observed in bi-layer graphene (BLG) were presented in previous papers [19,20], little literature is available on BLG
Based on the correlation between damage generated and single-layer graphene (SLG) corresponding irradiation density, we propose a hypothesis for the effective range of incident ions, thereby interpreting the process of changes of direct and indirect action range under different irradiation densities
Summary
Graphene is a two-dimensional (2D) atomic crystal formed by a single layer of carbon atoms and arranged in a hexagonal honeycomb structure with sp hybrid orbitals [1]. As a technique for controlling the characteristics of graphene, ion irradiation has been studied for a long time. It is noteworthy that researchers have made progress in the study of irradiation effect of graphene, especially single-layer suspended graphene (SLG) [13,14,15,16,17,18]. Special experimental phenomena observed in bi-layer graphene (BLG) were presented in previous papers [19,20], little literature is available on BLG. Researchers are concerned with the effects of the energy of irradiated ions on graphene [15,16,17,18,19,20,21,22]. The present work deals with the irradiation effect of both SLG and BLG from the perspective of irradiation density using the molecular dynamics (MD)
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