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Fabrication of nanopores in a graphene sheet with heavy ions: a molecular dynamics study

机译:在具有重离子的石墨烯片中制备纳米孔:a   分子动力学研究

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摘要

Molecular dynamics (MD) simulations were performed to study the formationprocess of nanopores in a suspended graphene sheet irradiated by usingenergetic ions though a mask. By controlling the ion parameters including mass,energy and incident angle, different kinds of topography were observed in thegraphene sheet. Net-like defective strucutures with carbon atom chains can beformed at low ion fluence, which provides the possibility to functionalize theirradiated sample with subsequent chemical methods; finally a perfect nanoporewith smooth edge appears as the ion fluence is high enough. We found that thedependence of ion damage efficiency on ion fluence, energy and incident angleare different from that predicted by the semi-empirical model based on thebinary-collision approximation, which results from the special structure ofgraphene. Our results demonstrate that it is feasible to fabricate controllednanopores/nanostructures in graphene via heavy ion irradiation.
机译:进行了分子动力学(MD)模拟,研究了通过高能离子通过掩模辐照的悬浮石墨烯片材中纳米孔的形成过程。通过控制包括质量,能量和入射角在内的离子参数,可以在石墨烯片中观察到各种形貌。可以在低离子通量下形成具有碳原子链的网状缺陷结构,这提供了用后续化学方法功能化其辐射样品的可能性。最后,由于离子通量足够高,出现了具有光滑边缘的完美纳米孔。我们发现,由于石墨烯的特殊结构,离子损伤效率对离子通量,能量和入射角的依赖性与基于二元碰撞近似的半经验模型所预测的依赖性不同。我们的结果表明,通过重离子辐照在石墨烯中制备可控的纳米孔/纳米结构是可行的。

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