Lithium Intercalation in the Anisotropic Van Der Waals Semiconductor CrSBr

Alkali metal intercalation is an important strategy for doping van der Waals materials. In this work, lithium intercalation between layers of the anisotropic magnetic semiconductor CrSBr is investigated using exfoliated crystals, enabling real-time monitoring of intercalation dynamics through optical and electrical characterization. The measurements reveal highly anisotropic lithium migration with diffusion coefficients differing by more than one order of magnitude along the a- and b-directions, consistent with molecular dynamics simulations showing lithium trajectories primarily following Br chains along the a-direction. Partial or complete hBN encapsulation significantly affects the intercalation process, and lithium enhances electrical conductivity along the a-axis. The approach provides a platform for lithium diffusion studies and the fabrication of lithium-doped devices.

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Publication Details

Journal
Zenodo (CERN European Organization for Nuclear Research)
Published
2026-01-08
DOI
https://doi.org/10.5281/zenodo.18835069
Primary Topic
2D Materials and Applications
Type
article
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article

Lithium Intercalation in the Anisotropic Van Der Waals Semiconductor CrSBr

Petr Levinský, Giuliana Materzanini, Borna Radatović, Jiří Šturala et al.
Zenodo (CERN European Organization for Nuclear Research)
2D Materials and Applications
article

Lithium Intercalation in the Anisotropic Van Der Waals Semiconductor CrSBr

Petr Levinský, Giuliana Materzanini, Borna Radatović, Jiří Šturala, Martin VESELÝ, David Sedmidubský, Aljoscha Söll, Vlastimil Mazánek, Florian Dirnberger, Nicola Marzari, Kseniia Mosina, Zdeněk Sofer, Ondřej Kaman, Gian-Marco Rignanese
article en

Abstract

Alkali metal intercalation is an important strategy for doping van der Waals materials. In this work, lithium intercalation between layers of the anisotropic magnetic semiconductor CrSBr is investigated using exfoliated crystals, enabling real-time monitoring of intercalation dynamics through optical and electrical characterization. The measurements reveal highly anisotropic lithium migration with diffusion coefficients differing by more than one order of magnitude along the a- and b-directions, consistent with molecular dynamics simulations showing lithium trajectories primarily following Br chains along the a-direction. Partial or complete hBN encapsulation significantly affects the intercalation process, and lithium enhances electrical conductivity along the a-axis. The approach provides a platform for lithium diffusion studies and the fabrication of lithium-doped devices.

Zenodo (CERN European Organization for Nuclear Research)
University of Zagreb (HR), Czech Academy of Sciences (CZ), FZU ‒ Institute of Physics of the Academy of Sciences of the Czech Republic (CZ), École Polytechnique Fédérale de Lausanne (CH), Technical University of Munich (DE), University of Chemistry and Technology, Prague (CZ), UCLouvain (BE)
Openalex Percentile: Top 40%
2D Materials and Applications
DOIOpen Access PDFOpenAlex
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Lithium Intercalation in the Anisotropic Van Der Waals Semiconductor CrSBr — Petr Levinský, Giuliana Materzanini, et al. · Zenodo (CERN European Organization for Nuclear Research) (2026) | TGRS Research Map | TGRS