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Updated: Sep 6, 2025

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
Viscoelastic bandgap in multilayers of inorganic-organic nanolayer interfaces
Rajan Khadka1, Ganpati Ramanath2, Pawel Keblinski1
1Department of Materials Science and Engineering, Rensselaer Polytechnic Institute, Troy, NY, 12180, USA.
Abstract:
Incorporating molecular nanolayers (MNLs) at inorganic interfaces offers promise for reaping unusual enhancements in fracture energy, thermal and electrical transport. Here, we reveal that multilayering MNL-bonded inorganic interfaces can result in viscoelastic damping bandgaps. Molecular dynamics simulations of Au/octanedithiol MNL/Au multilayers reveal high-damping-loss frequency bands at 33 ≤ ν ≤ 77 GHz and 278 ≤ ν ≤ 833 GHz separated by a low-loss bandgap 77 ≤ ν ≤ 278 GHz region. The viscoelastic bandgap scales with the Au/MNL interface bonding strength and density, and MNL coverage. These results and the analyses of interfacial vibrations indicate that the viscoelastic bandgap is an interface effect that cannot be explained by weighted averages of bulk responses. These findings prognosticate a variety of possibilities for accessing and tuning novel dynamic mechanical responses in materials systems and devices with significant inorganic-organic interface fractions for many applications, e.g., smart composites and sensors with self-healing/-destructing mechanical responses.
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