Engineering band structure via the site preference of Pb2+ in the In+ site for enhanced thermoelectric performance of In6Se7

Cui, Jiaolin, Cheng, Min, Wu, Wenchang, Du, Zhengliang and Chao, Yimin ORCID: https://orcid.org/0000-0002-8488-2690 (2016) Engineering band structure via the site preference of Pb2+ in the In+ site for enhanced thermoelectric performance of In6Se7. ACS Applied Materials & Interfaces, 8 (35). 23175–23180. ISSN 1944-8244

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Abstract

Although binary In-Se based alloys as thermoelectric (TE) candidates are of interests in recent years, little attention has been paid into In6Se7 based compounds. With substituting Pb in In6Se7, the preference of Pb2+ in the In+ site has been observed, allowing the Fermi level (Fr) shift towards the conduction band and the localized state conduction becomes dominated. Consequently, the Hall carrier concentration (nH) has been enhanced significantly with the highest nH value being about 2~3 orders of magnitude higher than that of Pb-free sample. Meanwhile, the lattice thermal conductivity (κL) tends to be reduced as nH value increases, owing to an increased phonon scattering on carriers. As a result, a significantly enhanced TE performance has been achieved with the highest TE figure of merit (ZT) of 0.4 at ~850 K. This ZT value is 27 times that of intrinsic In6Se7 (ZT=0.015 at 640 K), which proves a successful band structure engineering through site preference of Pb in In6Se7.

Item Type:	Article
Uncontrolled Keywords:	thermoelectric performance,band structure engineering,site preference,in6se7,fermi level,carrier concentration
Faculty \ School:	Faculty of Science > School of Chemistry (former - to 2024)
UEA Research Groups:	Faculty of Science > Research Groups > Physical and Analytical Chemistry (former - to 2017) Faculty of Science > Research Groups > Chemistry of Materials and Catalysis Faculty of Science > Research Groups > Energy Materials Laboratory
Depositing User:	Pure Connector
Date Deposited:	24 Sep 2016 00:25
Last Modified:	25 Sep 2024 12:09
URI:	https://ueaeprints.uea.ac.uk/id/eprint/60041
DOI:	10.1021/acsami.6b07238

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