Double perovskite Pr2CoFeO6 thermoelectric oxide: roles of Sr-doping and micro/nanostructuring
Article
Article Title | Double perovskite Pr2CoFeO6 thermoelectric oxide: roles of Sr-doping and micro/nanostructuring |
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ERA Journal ID | 3854 |
Article Category | Article |
Authors | Wu, Hao (Author), Shi, Xiao-Lei (Author), Liu, Wei-Di (Author), Li, Meng (Author), Gao, Han (Author), Zhou, Wei (Author), Shao, Zongping (Author), Wang, Yifeng (Author), Liu, Qingfeng (Author) and Chen, Zhi-Gang (Author) |
Journal Title | Chemical Engineering Journal |
Journal Citation | 425, pp. 1-10 |
Article Number | 130668 |
Number of Pages | 10 |
Year | 2021 |
Publisher | Elsevier |
Place of Publication | Netherlands |
ISSN | 1385-8947 |
1873-3212 | |
Digital Object Identifier (DOI) | https://doi.org/10.1016/j.cej.2021.130668 |
Web Address (URL) | https://www.sciencedirect.com/science/article/abs/pii/S1385894721022543 |
Abstract | Owing to their excellent thermal stability, non-toxicity, and low cost, oxide-based thermoelectric materials have considerably expanded research interests and industrial application. Here, we, for the first time, report a new-type Pr2CoFeO6 oxide-based thermoelectric materials from both theoretical and experimental aspects. Our first-principles calculation results indicate that Pr2CoFeO6 is a p-type semiconductor with narrow bandgap. The experimental thermoelectric evaluation shows that pristine Pr2CoFeO6, synthesized by a combination of sol-gel method and conventional sintering, has a peak figure of merit, ZT of 0.015 at 773 K with a high positive Seebeck coefficient of 250 μV K-1 and very low thermal conductivity of 0.7 W m-1 K-1 at this temperature. Further Sr2+ doping on Pr-sites (Pr3+) enhances the carrier concentration from 4.03×1014 cm-3 to 5.22×1017 cm-3, contributing to an improved power factor up to 46 μW m-1 K-2. Besides, Sr-doping induces point defects in the matrix and further suppresses the thermal conductivity to 0.58 W m-1 K-1, leading to a promising ZT up to 0.05 at 673 K in Pr1.8Sr0.2CoFeO6, which is significantly improved by 233 % compared to pristine Pr2CoFeO6. We also predict that a high ZT of >0.2 can be achieved by the optimization of carrier density, band engineering, and energy filtering, which is comparable to many other oxide-based thermoelectric materials. |
Keywords | thermoelectric; double perovskite; Pr2CoFeO6; band structure; nanostructure; calculation |
ANZSRC Field of Research 2020 | 401605. Functional materials |
Byline Affiliations | Nanjing Tech University, China |
Centre for Future Materials | |
University of Queensland | |
Zhengzhou University, China | |
Nanjing University of Technology, China | |
Institution of Origin | University of Southern Queensland |
https://research.usq.edu.au/item/q65z9/double-perovskite-pr2cofeo6-thermoelectric-oxide-roles-of-sr-doping-and-micro-nanostructuring
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