Grossek, A. S., Niggas, A., Wilhelm, R. A., Aumayr, F., & Lemell, C. (2022). Model for Nanopore Formation in Two-Dimensional Materials by Impact of Highly Charged Ions. Nano Letters, 22(23), 9679–9684. https://doi.org/10.1021/acs.nanolett.2c03894
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.
