Issue 16, 2023

High thermoelectric performance of two-dimensional SiPGaS/As heterostructures

Abstract

Thermoelectric technology holds great promise as a green and sustainable energy solution, generating electric power directly from waste heat. Herein, we investigate the thermoelectric properties of SiPGaS/As van der Waals heterostructures by using computations based on density functional theory and semiclassical Boltzmann transport theory. Our results show that both models of SiPGaS/As van der Waals heterostructures have low lattice thermal conductivity at room temperature (300 K). Applying 4% tensile strain to the models leads to a significant enhancement in the figure of merit (ZT), with model-I and model-II exhibiting ZT improvements of up to 24.5% and 14.8%, respectively. Notably, model-II outperforms all previously reported heterostructures in terms of ZT value. Additionally, we find that the maximum thermoelectric conversion efficiency (η) for model-II at 4% tensile strain reaches 23.98% at 700 K. Our predicted ZTavg > 1 suggests that these materials have practical potential for thermoelectric applications over a wide temperature range. Overall, our findings offer valuable insights for designing better thermoelectric materials.

Graphical abstract: High thermoelectric performance of two-dimensional SiPGaS/As heterostructures

Supplementary files

Article information

Article type
Paper
Submitted
20 yan 2023
Accepted
31 mar 2023
First published
31 mar 2023

Nanoscale, 2023,15, 7302-7310

High thermoelectric performance of two-dimensional SiPGaS/As heterostructures

I. Shahid, X. Hu, I. Ahmad, A. Ali, N. Shehzad, S. Ahmad and Z. Zhou, Nanoscale, 2023, 15, 7302 DOI: 10.1039/D3NR00316G

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