Abstract
Thermoelectric devices are increasingly proving to be a viable energy recycling method, with oxide thermoelectrics providing an earth abundant and non-toxic alternative to the materials traditionally used in the field. This study conducts a detailed investigation into the thermoelectric properties of the ternary wide band semiconductor Sr2Sb2O7, which has previously been synthesised under high temperature conditions and shown to be thermally stable. Lattice dynamics calculations predict lattice thermal conductivities below 1 W m−1 K−1 at temperatures above 1125 K. The Seebeck coefficient, electrical conductivity and electronic component to the thermal conductivity were calculated via the explicit calculation of the polar optical phonon scattering, acoustic deformation potential scattering and ionised impurity scattering rates within the AMSET code. The obtained results were combined to obtain a maximum ZT of 0.536 at 1400 K, which when nanostructured to 10 nm was increased to 0.71, showing its predicted potential to perform as a high-performance n-type oxide thermoelectric.
Original language | English |
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Pages (from-to) | 9124-9134 |
Number of pages | 11 |
Journal | Journal of Materials Chemistry C |
Volume | 11 |
Issue number | 27 |
Early online date | 14 Jun 2023 |
DOIs | |
Publication status | Published - 21 Jul 2023 |
Bibliographical note
Acknowledgements:Via our membership of the United Kingdoms HEC Materials Chemistry Consortium, which is funded by EPSRC (EP/L000202, EP/R029431, EP/T022213), this work used the ARCHER2 U.K. National Supercomputing Service (http://www.archer2.ac.uk) and the U.K. Materials and Molecular Modelling Hub for computational resources, MMM Hub, which is also partially funded by EPSRC (EP/P020194 and EP/T022213). The authors acknowledge the use of the UCL Myriad, and Kathleen and Thomas High Throughput Computing Facilities (Myriad@UCL, Kathleen@UCL and Thomas@UCL) and associated support services in the completion of this work. DOS acknowledges support from the EPSRC (EP/N01572X/1). DOS acknowledges membership of the Materials Design Network.