Abstract
The interaction between ion irradiation and two-dimensional (2D) heterostructures is important for the performance modulation and application realization, while few studies have been reported. This paper investigates the influence of Ar ion irradiation on graphene/MoS2 heterostructure by using molecular dynamics (MD) simulations. The generation of defects is studied at first by considering the influence factors (i.e., irradiation energy, dose, stacking order, and substrate). Then uniaxial tensile test simulations are conducted to uncover the evolution of the mechanical performance of graphene/MoS2 heterostructure after being irradiated by ions. At last, the control rule of interlayer distance in graphene/MoS2 heterostructure by ion irradiation is illustrated for the actual applications. This study could provide important guidance for future application in tuning the performance of graphene/MoS2 heterostructure-based devices by ion beam irradiation.
Highlights
The interaction between ion irradiation and two-dimensional (2D) heterostructures is important for the performance modulation and application realization, while few studies have been reported
We systematically studies the influence of Ar ion irradiation on graphene/MoS2 heterostructure by using molecular dynamics (MD) simulations
The section of this paper focuses on the dependence of the generation of vacancies on ion irradiation energy, irradiation dose, substrate, stacking order, to offer important guidance for actual applications
Summary
The interaction between ion irradiation and two-dimensional (2D) heterostructures is important for the performance modulation and application realization, while few studies have been reported. This study could provide important guidance for future application in tuning the performance of graphene/MoS2 heterostructure-based devices by ion beam irradiation. There are other types of 2D materials such as hexagonal boron nitride, black phosphorus, molybdenum disulphide ( MoS2), and other transition metal dichalcogenides being discovered in the last a few years On one hand, these 2D materials behave lots of outstanding properties similar to graphene. 2D van der Waals (vdWs) heterostructures are one type of heterostructures which stack one layer of 2D crystal on top of another, analogous to building Lego b locks[10] This vertical stacking feature provides the in-plane strong covalent bonds, whereas relatively weak interlayer vdW forces to the structure, which is able to integrate the merits of each 2D crystal, as well as generate some new features due to the synergistic effect, largely expanding the applications of 2D m aterials[11]. It is desirable to explore new techniques to modulate the interlayer coupling in 2D vdW heterostructures for their further application
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