Model for Nanopore Formation in Two-Dimensional Materials by Impact of Highly Charged Ions

[Image: see text] 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 d...

Descripción completa

Detalles Bibliográficos
Autores principales: Grossek, Alexander Sagar, Niggas, Anna, Wilhelm, Richard A., Aumayr, Friedrich, Lemell, Christoph
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9756339/
https://www.ncbi.nlm.nih.gov/pubmed/36399705
http://dx.doi.org/10.1021/acs.nanolett.2c03894
_version_ 1784851610316308480
author Grossek, Alexander Sagar
Niggas, Anna
Wilhelm, Richard A.
Aumayr, Friedrich
Lemell, Christoph
author_facet Grossek, Alexander Sagar
Niggas, Anna
Wilhelm, Richard A.
Aumayr, Friedrich
Lemell, Christoph
author_sort Grossek, Alexander Sagar
collection PubMed
description [Image: see text] 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.
format Online
Article
Text
id pubmed-9756339
institution National Center for Biotechnology Information
language English
publishDate 2022
publisher American Chemical Society
record_format MEDLINE/PubMed
spelling pubmed-97563392022-12-17 Model for Nanopore Formation in Two-Dimensional Materials by Impact of Highly Charged Ions Grossek, Alexander Sagar Niggas, Anna Wilhelm, Richard A. Aumayr, Friedrich Lemell, Christoph Nano Lett [Image: see text] 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. American Chemical Society 2022-11-18 2022-12-14 /pmc/articles/PMC9756339/ /pubmed/36399705 http://dx.doi.org/10.1021/acs.nanolett.2c03894 Text en © 2022 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Grossek, Alexander Sagar
Niggas, Anna
Wilhelm, Richard A.
Aumayr, Friedrich
Lemell, Christoph
Model for Nanopore Formation in Two-Dimensional Materials by Impact of Highly Charged Ions
title Model for Nanopore Formation in Two-Dimensional Materials by Impact of Highly Charged Ions
title_full Model for Nanopore Formation in Two-Dimensional Materials by Impact of Highly Charged Ions
title_fullStr Model for Nanopore Formation in Two-Dimensional Materials by Impact of Highly Charged Ions
title_full_unstemmed Model for Nanopore Formation in Two-Dimensional Materials by Impact of Highly Charged Ions
title_short Model for Nanopore Formation in Two-Dimensional Materials by Impact of Highly Charged Ions
title_sort model for nanopore formation in two-dimensional materials by impact of highly charged ions
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9756339/
https://www.ncbi.nlm.nih.gov/pubmed/36399705
http://dx.doi.org/10.1021/acs.nanolett.2c03894
work_keys_str_mv AT grossekalexandersagar modelfornanoporeformationintwodimensionalmaterialsbyimpactofhighlychargedions
AT niggasanna modelfornanoporeformationintwodimensionalmaterialsbyimpactofhighlychargedions
AT wilhelmricharda modelfornanoporeformationintwodimensionalmaterialsbyimpactofhighlychargedions
AT aumayrfriedrich modelfornanoporeformationintwodimensionalmaterialsbyimpactofhighlychargedions
AT lemellchristoph modelfornanoporeformationintwodimensionalmaterialsbyimpactofhighlychargedions

Ejemplares similares