Issue 46, 2023

The intrinsically low lattice thermal conductivity of monolayer T-Au6X2 (X = S, Se and Te)

Abstract

Thermal conductivity (κ, which consists of electronic thermal conductivity κe and lattice thermal conductivity κl), as an essential parameter in thermal management applications, is a critical physical quantity to measure the heat transfer performance of materials. To seek low-κ materials for heat-related applications, such as thermoelectric materials and thermal barrier coatings. In this study, based on a complex cluster design, we report a new class of two-dimensional (2D) transition metal dichalcogenides (TMDs): T-Au6X2 (X = S, Se, and Te) with record ultralow κl values. At room temperature, the κl values of T-Au6S2, T-Au6Se2, and T-Au6Te2 are 0.25 (0.23), 0.30 (0.21), and 0.12 (0.10) W m−1 K−1 along the x-axis (y-axis) direction, respectively, exhibiting good thermal insulation. The ultralow κl originates from strong phonon softening and suppression, especially for the phonon with frequency 0–1 THz. In addition, T-Au6Te2 holds the lowest group velocity and phonon relaxation time among the three T-Au6X2 monolayers. Our study provides an alternative approach for achieving ultralow κl through complex cluster replacement. Meanwhile, this new class of TMDs is expected to shine in thermal insulation and thermoelectricity due to their ultralow κl values.

Graphical abstract: The intrinsically low lattice thermal conductivity of monolayer T-Au6X2 (X = S, Se and Te)

Supplementary files

Article information

Article type
Paper
Submitted
27 Jul 2023
Accepted
06 Nov 2023
First published
06 Nov 2023

Phys. Chem. Chem. Phys., 2023,25, 31781-31790

The intrinsically low lattice thermal conductivity of monolayer T-Au6X2 (X = S, Se and Te)

Y. Ji, X. Chen, Z. Sun, C. Shen and N. Wang, Phys. Chem. Chem. Phys., 2023, 25, 31781 DOI: 10.1039/D3CP03580H

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements