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Model for Nanopore Formation in Two-Dimensional Materials by Impact of Highly Charged Ions
Nano Letters ( IF 10.8 ) Pub Date : 2022-11-18 , DOI: 10.1021/acs.nanolett.2c03894
Alexander Sagar Grossek 1, 2 , Anna Niggas 2 , Richard A Wilhelm 2 , Friedrich Aumayr 2 , Christoph Lemell 1
Affiliation  

We present a first qualitative description of the atomic dynamics in two-dimensional (2D) materials induced by the impact of slow, highly charged ions. We employ a classical molecular dynamics simulation for the motion of the target atoms combined with a Monte Carlo model for the diffusive charge transport within the layer. Depending on the velocity of charge transfer (hopping time or hole mobility) and the number of extracted electrons which, in turn, depends on the charge state of the impinging ions, we find regions of stability of the 2D structure as well as parameter combinations for which nanopore formation due to Coulomb repulsion is predicted.

中文翻译:

通过高电荷离子的影响在二维材料中形成纳米孔的模型

我们首次对二维 (2D) 材料中由慢速、高电荷离子的影响引起的原子动力学进行了定性描述。我们采用经典分子动力学模拟来模拟目标原子的运动,并结合蒙特卡罗模型来模拟层内的扩散电荷传输。根据电荷转移的速度(跳跃时间或空穴迁移率)和提取电子的数量,这反过来又取决于撞击离子的电荷状态,我们发现二维结构的稳定区域以及参数组合预测了由于库仑排斥而形成的纳米孔。
更新日期:2022-11-18
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