Issue 13, 2022

Extraordinary lattice thermal conductivity of gold sulfide monolayers

Abstract

Gold sulfide monolayers (α-, β-Au2S, α-, β-, γ-AuS) have emerged as a new class of two-dimensional (2D) materials with appealing properties such as high thermal and dynamical stability, oxidation resistance, and excellent electron mobility. However, their thermal properties are still unexplored. In this study, based on first-principles calculations and the Peierls–Boltzmann transport equation, we report the lattice thermal conductivity (κ) and related phonon thermal properties of all members of this family. Our results show that gold sulfide monolayers have lattice thermal conductivity spanning almost three orders of magnitude, from 0.04 W m−1 K−1 to 10.62 W m−1 K−1, with different levels of anisotropy. Particularly, our results demonstrate that β-Au2S with ultralow κaa = 0.06 W m−1 K−1 and κbb = 0.04 W m−1 K−1 along the principal in-plane directions, has one of the lowest κ values that have been reported for a 2D material, well below that of PbSe. This extremely low lattice thermal conductivity can be attributed to its flattened phonon branches and low phonon group velocity, high anharmonicity, and short phonon lifetimes. Our results may provide insight into the application of gold sulfide monolayers as thermoelectric materials, and motivate future κ measurements of gold sulfide monolayers.

Graphical abstract: Extraordinary lattice thermal conductivity of gold sulfide monolayers

Supplementary files

Article information

Article type
Paper
Submitted
10 Jan 2022
Accepted
24 May 2022
First published
31 May 2022
This article is Open Access
Creative Commons BY-NC license

Nanoscale Adv., 2022,4, 2873-2883

Extraordinary lattice thermal conductivity of gold sulfide monolayers

A. Taheri, S. Pisana and C. V. Singh, Nanoscale Adv., 2022, 4, 2873 DOI: 10.1039/D2NA00019A

This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence. You can use material from this article in other publications, without requesting further permission from the RSC, provided that the correct acknowledgement is given and it is not used for commercial purposes.

To request permission to reproduce material from this article in a commercial publication, 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 commercial 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