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

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• 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.