离子辐照下支持的二维材料：基底控制缺陷产生,ACS Applied Materials & Interfaces

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离子辐照下支持的二维材料：基底控制缺陷产生
ACS Applied Materials & Interfaces ( IF 8.3 ) Pub Date : 2018-08-17 00:00:00 , DOI: 10.1021/acsami.8b08471
Silvan Kretschmer ₁ , Mikhail Maslov _{1,

2} , Sadegh Ghaderzadeh ₁ , Mahdi Ghorbani-Asl ₁ , Gregor Hlawacek ₁ , Arkady V. Krasheninnikov _{1,

3}

Affiliation

聚焦离子束非常适合于对二维（2D）材料进行构图，但是优化辐照参数需要从微观角度全面了解缺陷产生机理。与独立式2D系统相比，在支持的2D材料中产生损伤的细节尚未完全了解，而大多数实验都是针对沉积在基板上的2D目标进行的。在这里，我们提出了一种通用且计算效率高的方案来对支持的2D材料的辐射进行建模，该方案结合了潜在的分子动力学分析和蒙特卡洛模拟，并可以独立评估背向散射离子和从衬底溅射出的原子对损伤的贡献。。使用该方案，我们研究了石墨烯和MoS _2中的缺陷产生片，这是两种最重要且广泛使用的2D材料，沉积在SiO _2上基质。对于具有广泛初始离子能量的氦离子和氖离子，包括在商用氦离子显微镜（HIM）中使用的离子，我们证明了取决于离子能量和质量，二维系统中的缺陷产生可以由反向散射离子和溅射的基板原子而不是直接的离子撞击，并且2D材料中的损坏程度在很大程度上取决于是否存在基板。我们还研究了限制构图过程空间分辨率的因素。我们的结果与可用的实验数据很好地吻合，不仅提供了对缺陷产生的见解，而且还提供了定量信息，这些信息可用于在HIM成像过程中或在构图过程优化中将损伤最小化。

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Supported Two-Dimensional Materials under Ion Irradiation: The Substrate Governs Defect Production

Focused ion beams perfectly suit for patterning two-dimensional (2D) materials, but the optimization of irradiation parameters requires full microscopic understanding of defect production mechanisms. In contrast to freestanding 2D systems, the details of damage creation in supported 2D materials are not fully understood, whereas the majority of experiments have been carried out for 2D targets deposited on substrates. Here, we suggest a universal and computationally efficient scheme to model the irradiation of supported 2D materials, which combines analytical potential molecular dynamics with Monte Carlo simulations and makes it possible to independently assess the contributions to the damage from backscattered ions and atoms sputtered from the substrate. Using the scheme, we study the defect production in graphene and MoS₂ sheets, which are the two most important and wide-spread 2D materials, deposited on a SiO₂ substrate. For helium and neon ions with a wide range of initial ion energies including those used in a commercial helium ion microscope (HIM), we demonstrate that depending on the ion energy and mass, the defect production in 2D systems can be dominated by backscattered ions and sputtered substrate atoms rather than by the direct ion impacts and that the amount of damage in 2D materials heavily depends on whether a substrate is present or not. We also study the factors which limit the spatial resolution of the patterning process. Our results, which agree well with the available experimental data, provide not only insights into defect production but also quantitative information, which can be used for the minimization of damage during imaging in HIM or optimization of the patterning process.

更新日期：2018-08-17

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