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Quantitative Modeling of Nanopore Formation in 2D MoS2 by Swift Heavy-Ion Irradiation

  • Yossarian Liebsch (Corresponding author)
  • , Aleksi Leino
  • , Lukas Madauß
  • , Rajendra Singh
  • , Pedro Luis Grande
  • , Kristina Tomić Luketić
  • , Marko Karlušić
  • , André Maas
  • , Lars Breuer
  • , Henning Lebius
  • , Clara Grygiel
  • , Maria Eugenia Toimil-Molares
  • , Christina Trautmann
  • , Alan T. Charlie Johnson
  • , Mengqiang Zhao
  • , Henrique Vazquez Muinos
  • , Mukesh Tripathi
  • , Shavkat Akhmadaliev
  • , Jani Kotakoski
  • , Flyura Djurabekova
  • Marika Schleberger

Publications: Contribution to journalArticlePeer Reviewed

Abstract

Swift heavy-ion irradiation provides a versatile route for nanostructuring two-dimensional (2D) materials, with potential applications ranging from membrane engineering to electronic and sensing technologies. Here, we combine high-resolution scanning transmission electron microscopy with atomistic simulations to demonstrate controlled nanopore formation in monolayer MoS2, with pore sizes governed by stochastic energy transfer. By incorporating electron bunching, spatial straggling, and energy loss through escaping particles, our energy-transfer model quantitatively reproduces experimental pore size distributions and surpasses conventional stopping power predictions. These results deepen our understanding of ion–matter interactions in 2D systems and enable the controlled fabrication of functional nanostructures via ion irradiation.
Original languageEnglish
Pages (from-to)7237–7248
Number of pages12
JournalACS Applied Materials and Interfaces
Volume18
Issue number4
Early online date20 Jan 2026
DOIs
Publication statusPublished - 4 Feb 2026

Funding

J.K. acknowledges partial funding for this study by the Austrian Science Fund (FWF) under grant number 10.55776/COE5.

FundersFunder number
Fonds zur Förderung der wissenschaftlichen Forschung (FWF)10.55776/COE5

Austrian Fields of Science 2012

  • 210004 Nanomaterials
  • 103018 Materials physics

Keywords

  • ion irradiation
  • MD simulation
  • nanopores
  • 2D materials
  • TEM

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