Hybridization Directionality Governs the Interaction Strength between MoS<sub>2</sub> and Metals

Gold-assisted exfoliation has emerged as an effective method for producing large-area monolayers of two-dimensional materials, yet its underlying mechanism remains poorly understood. While other metals also hold promise for facilitating large-area exfoliation, their practical application is hindered by oxidation in air. To address this, we fabricate heterostructures of monolayer MoS<sub>2</sub> with polycrystalline gold, silver, copper, palladium, cobalt, and nickel via direct mechanical exfoliation of bulk molybdenite under controlled atmospheric conditions. Our photoemission spectroscopy, vibrational spectroscopy, and density functional theory results reveal the metal-dependent modification of monolayer MoS<sub>2</sub>. We identify the hybridization directionality and, in particular, the asymmetry between the bottom and top sulfur atoms as previously overlooked key factors in weakening the MoS<sub>2</sub>-MoS<sub>2</sub> van der Waals interaction, ultimately enabling selective monolayer exfoliation.

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Publication Details

Journal
Nano Letters
Published
2025-08-19
DOI
https://doi.org/10.1021/acs.nanolett.5c03200
Citations
3
Primary Topic
2D Materials and Applications
Type
article
Field-Weighted Citation Impact
1.55

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article

Hybridization Directionality Governs the Interaction Strength between MoS2 and Metals

Matěj Velický, Otakar Frank, Amy Carl, Václav Valeš et al.
3 citations
Nano Letters
2D Materials and Applications
1.55
article

Hybridization Directionality Governs the Interaction Strength between MoS2 and Metals

Matěj Velický, Otakar Frank, Amy Carl, Václav Valeš, Viktor Zólyomi, János Koltai, Jens Zscharschuch, Martin Vondráček, Casey K. Cheung, Artur Erbe, J. Honolka, Luka Pirker, Roman Gorbachev, Michaela Hanušová, Ilias Sotiriou, Noel Natera Cordero
article en
3 citations

Abstract

Gold-assisted exfoliation has emerged as an effective method for producing large-area monolayers of two-dimensional materials, yet its underlying mechanism remains poorly understood. While other metals also hold promise for facilitating large-area exfoliation, their practical application is hindered by oxidation in air. To address this, we fabricate heterostructures of monolayer MoS<sub>2</sub> with polycrystalline gold, silver, copper, palladium, cobalt, and nickel via direct mechanical exfoliation of bulk molybdenite under controlled atmospheric conditions. Our photoemission spectroscopy, vibrational spectroscopy, and density functional theory results reveal the metal-dependent modification of monolayer MoS<sub>2</sub>. We identify the hybridization directionality and, in particular, the asymmetry between the bottom and top sulfur atoms as previously overlooked key factors in weakening the MoS<sub>2</sub>-MoS<sub>2</sub> van der Waals interaction, ultimately enabling selective monolayer exfoliation.

Nano LettersVol. 25(34)
Eötvös Loránd University (HU), Helmholtz-Zentrum Dresden-Rossendorf (DE), Daresbury Laboratory (GB), University of Manchester (GB), Czech Academy of Sciences, J. Heyrovský Institute of Physical Chemistry (CZ), Institute of Physics of the Slovak Academy of Sciences (SK), Technische Universität Dresden (DE), University of Chemistry and Technology, Prague (CZ)
Ministerstvo Školství, Mládeže a Tělovýchovy, Grantová Agentura České Republiky, Akademie Věd České Republiky
Openalex Percentile: Top 16%
2D Materials and Applications
1.55
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