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March 18, 2026Journal of Materials Chemistry C1 citationsOpen Access

Spontaneous structural deformation of MoS2 nanoribbons in Au(111)/ MoS2/ Au(111) heterojunctions

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XTXinghui TangNational University of SingaporeHWHao WangAnhui Agricultural UniversityKYKah Meng YamNational University of Singapore

Key Points

  • This study investigates how MoS2 nanoribbons behave when placed between Au(111) electrodes, focusing on their structural changes.
  • Utilized first-principles simulations to model the MoS2 nanoribbons.
  • Analyzed the effects of bending and stretching on structural properties.
  • Examined the interface behavior between Au(111) and MoS2.
  • MoS2 nanoribbons exhibit spontaneous bending and stretching when adsorbed between Au electrodes.
  • These structural changes enhance the mechanical properties of the nanoribbons.
  • Deformation patterns suggest significant interactions at the Au(111)/MoS2 interface.

Abstract

Using first-principles simulations, we demonstrate that MoS₂ nanoribbons adsorbed between two Au(111) electrodes in an Au/MoS₂/Au junction undergo spontaneous structural deformation involving bending and stretching. This deformation increases the mechanical...

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Cite This Study

Tang et al. (2026) studied this question.

synapsesocial.com/papers/69ba42ee4e9516ffd37a3970https://doi.org/10.1039/d6tc00052e
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