Enhanced thermoelectric performance of bulk bismuth selenide: synergistic effect of indium and antimony co-doping

Musah, J.-D., Linlin, L., Guo, C., Novitskii, A., Ilyas, A. O., Serhiienko, I., Khovaylo, V., Roy, V. A.L. and Lawrence Wu, C.-M. (2022) Enhanced thermoelectric performance of bulk bismuth selenide: synergistic effect of indium and antimony co-doping. ACS Sustainable Chemistry and Engineering, 10(12), pp. 3862-3871. (doi: 10.1021/acssuschemeng.1c07256)

[img] Text
267875.pdf - Accepted Version
Available under License Creative Commons Attribution Non-commercial No Derivatives.

803kB

Abstract

The thermoelectric (TE) performance of pristine Bi2Se3 is inferior to that of Bi2Te3. Therefore, the study on Bi2Se3 has faced a decline. The lower performance is due to the low power factor and high thermal conductivity. In recent years, single aliovalent doping has been adopted to improve the TE performance of Bi2Se3. Here, we adopt an isovalent co-doping approach using indium and antimony to create a manifold enhancement in the TE performance of Bi2Se3 via the creation of neutral impurities and deep defect states (DDSs). A high figure of merit (ZT = 0.47) is obtained at 473 K for a doping concentration of 0.1 at. %. The TE performance obtained for Bi2–xInxSb2x/3Se3, x = 0.1 at. %, is comparable to that obtained in several reports for pristine Bi2Te3. Our density functional theory calculation reveals an underlying DDS located at ∼15 eV below the Fermi level. This leads to enhanced electronic properties via density of states optimization induced by the co-doping. The isovalent doping is expected to create neutral impurities, which causes less scattering to conduction electrons while absorbing phonon vibration, thus improving the TE performance.

Item Type:Articles
Additional Information:The authors wish to acknowledge the grants from the Research Grants Council of Hong Kong Special Administrative Region Project no. T42-103/16N. The work at NUST “MISiS” was supported by the Ministry of Science and Higher Education of the Russian Federation in the framework of the Increase Competitiveness Program of NUST “MISiS” (no. K2-2020-045) implemented by a governmental decree dated 16th of March 2013, N211.
Status:Published
Refereed:Yes
Glasgow Author(s) Enlighten ID:Vellaisamy, Professor Roy
Authors: Musah, J.-D., Linlin, L., Guo, C., Novitskii, A., Ilyas, A. O., Serhiienko, I., Khovaylo, V., Roy, V. A.L., and Lawrence Wu, C.-M.
College/School:College of Science and Engineering > School of Engineering > Electronics and Nanoscale Engineering
Journal Name:ACS Sustainable Chemistry and Engineering
Publisher:American Chemical Society
ISSN:2168-0485
ISSN (Online):2168-0485
Published Online:15 March 2022
Copyright Holders:Copyright © 2022 American Chemical Society
First Published:First published in ACS Sustainable Chemistry and Engineering 10(12):3862-3871
Publisher Policy:Reproduced in accordance with the copyright policy of the publisher

University Staff: Request a correction | Enlighten Editors: Update this record