Ce Filling Limit and Its Influence on Thermoelectric Performance of Fe3CoSb12-Based Skutterudite Grown by a Temperature Gradient Zone Melting Method

CoSb3-based skutterudite is a promising mid-temperature thermoelectric material. However, the high lattice thermal conductivity limits its further application. Filling is one of the most effective methods to reduce the lattice thermal conductivity. In this study, we investigat...

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Autores principales:	Xu-Guang Li, Wei-Di Liu, Shuang-Ming Li, Dou Li, Jia-Xi Zhu, Zhen-Yu Feng, Bin Yang, Hong Zhong, Xiao-Lei Shi, Zhi-Gang Chen
Formato:	article
Lenguaje:	EN
Publicado:	MDPI AG 2021
Materias:	skutterudite CoSb<sub>3</sub> Ce-filling thermoelectric Technology T Electrical engineering. Electronics. Nuclear engineering TK1-9971 Engineering (General). Civil engineering (General) TA1-2040 Microscopy QH201-278.5 Descriptive and experimental mechanics QC120-168.85
Acceso en línea:	https://doaj.org/article/840f77540bd34640b0db3129d004e0c8
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spelling	oai:doaj.org-article:840f77540bd34640b0db3129d004e0c82021-11-25T18:13:46ZCe Filling Limit and Its Influence on Thermoelectric Performance of Fe<sub>3</sub>CoSb<sub>12</sub>-Based Skutterudite Grown by a Temperature Gradient Zone Melting Method10.3390/ma142268101996-1944https://doaj.org/article/840f77540bd34640b0db3129d004e0c82021-11-01T00:00:00Zhttps://www.mdpi.com/1996-1944/14/22/6810https://doaj.org/toc/1996-1944CoSb<sub>3</sub>-based skutterudite is a promising mid-temperature thermoelectric material. However, the high lattice thermal conductivity limits its further application. Filling is one of the most effective methods to reduce the lattice thermal conductivity. In this study, we investigate the Ce filling limit and its influence on thermoelectric properties of p-type Fe<sub>3</sub>CoSb<sub>12</sub>-based skutterudites grown by a temperature gradient zone melting (TGZM) method. Crystal structure and composition characterization suggests that a maximum filling fraction of Ce reaches 0.73 in a composition of Ce<sub>0.73</sub>Fe<sub>2.73</sub>Co<sub>1.18</sub>Sb<sub>12</sub> prepared by the TGZM method. The Ce filling reduces the carrier concentration to 1.03 × 10<sup>20</sup> cm<sup>−3</sup> in the Ce<sub>1.25</sub>Fe<sub>3</sub>CoSb<sub>12</sub>, leading to an increased Seebeck coefficient. Density functional theory (DFT) calculation indicates that the Ce-filling introduces an impurity level near the Fermi level. Moreover, the rattling effect of the Ce fillers strengthens the short-wavelength phonon scattering and reduces the lattice thermal conductivity to 0.91 W m<sup>−1 </sup>K<sup>−1</sup>. These effects induce a maximum Seebeck coefficient of 168 μV K<sup>−1</sup> and a lowest <i>κ </i>of 1.52 W m<sup>−1 </sup>K<sup>−</sup><sup>1</sup> at 693 K in the Ce<sub>1.25</sub>Fe<sub>3</sub>CoSb<sub>12</sub>, leading to a peak <i>zT</i> value of 0.65, which is 9 times higher than that of the unfilled Fe<sub>3</sub>CoSb<sub>12</sub>.Xu-Guang LiWei-Di LiuShuang-Ming LiDou LiJia-Xi ZhuZhen-Yu FengBin YangHong ZhongXiao-Lei ShiZhi-Gang ChenMDPI AGarticleskutteruditeCoSb<sub>3</sub>Ce-fillingthermoelectricTechnologyTElectrical engineering. Electronics. Nuclear engineeringTK1-9971Engineering (General). Civil engineering (General)TA1-2040MicroscopyQH201-278.5Descriptive and experimental mechanicsQC120-168.85ENMaterials, Vol 14, Iss 6810, p 6810 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	skutterudite CoSb<sub>3</sub> Ce-filling thermoelectric Technology T Electrical engineering. Electronics. Nuclear engineering TK1-9971 Engineering (General). Civil engineering (General) TA1-2040 Microscopy QH201-278.5 Descriptive and experimental mechanics QC120-168.85
spellingShingle	skutterudite CoSb<sub>3</sub> Ce-filling thermoelectric Technology T Electrical engineering. Electronics. Nuclear engineering TK1-9971 Engineering (General). Civil engineering (General) TA1-2040 Microscopy QH201-278.5 Descriptive and experimental mechanics QC120-168.85 Xu-Guang Li Wei-Di Liu Shuang-Ming Li Dou Li Jia-Xi Zhu Zhen-Yu Feng Bin Yang Hong Zhong Xiao-Lei Shi Zhi-Gang Chen Ce Filling Limit and Its Influence on Thermoelectric Performance of Fe<sub>3</sub>CoSb<sub>12</sub>-Based Skutterudite Grown by a Temperature Gradient Zone Melting Method
description	CoSb<sub>3</sub>-based skutterudite is a promising mid-temperature thermoelectric material. However, the high lattice thermal conductivity limits its further application. Filling is one of the most effective methods to reduce the lattice thermal conductivity. In this study, we investigate the Ce filling limit and its influence on thermoelectric properties of p-type Fe<sub>3</sub>CoSb<sub>12</sub>-based skutterudites grown by a temperature gradient zone melting (TGZM) method. Crystal structure and composition characterization suggests that a maximum filling fraction of Ce reaches 0.73 in a composition of Ce<sub>0.73</sub>Fe<sub>2.73</sub>Co<sub>1.18</sub>Sb<sub>12</sub> prepared by the TGZM method. The Ce filling reduces the carrier concentration to 1.03 × 10<sup>20</sup> cm<sup>−3</sup> in the Ce<sub>1.25</sub>Fe<sub>3</sub>CoSb<sub>12</sub>, leading to an increased Seebeck coefficient. Density functional theory (DFT) calculation indicates that the Ce-filling introduces an impurity level near the Fermi level. Moreover, the rattling effect of the Ce fillers strengthens the short-wavelength phonon scattering and reduces the lattice thermal conductivity to 0.91 W m<sup>−1 </sup>K<sup>−1</sup>. These effects induce a maximum Seebeck coefficient of 168 μV K<sup>−1</sup> and a lowest <i>κ </i>of 1.52 W m<sup>−1 </sup>K<sup>−</sup><sup>1</sup> at 693 K in the Ce<sub>1.25</sub>Fe<sub>3</sub>CoSb<sub>12</sub>, leading to a peak <i>zT</i> value of 0.65, which is 9 times higher than that of the unfilled Fe<sub>3</sub>CoSb<sub>12</sub>.
format	article
author	Xu-Guang Li Wei-Di Liu Shuang-Ming Li Dou Li Jia-Xi Zhu Zhen-Yu Feng Bin Yang Hong Zhong Xiao-Lei Shi Zhi-Gang Chen
author_facet	Xu-Guang Li Wei-Di Liu Shuang-Ming Li Dou Li Jia-Xi Zhu Zhen-Yu Feng Bin Yang Hong Zhong Xiao-Lei Shi Zhi-Gang Chen
author_sort	Xu-Guang Li
title	Ce Filling Limit and Its Influence on Thermoelectric Performance of Fe<sub>3</sub>CoSb<sub>12</sub>-Based Skutterudite Grown by a Temperature Gradient Zone Melting Method
title_short	Ce Filling Limit and Its Influence on Thermoelectric Performance of Fe<sub>3</sub>CoSb<sub>12</sub>-Based Skutterudite Grown by a Temperature Gradient Zone Melting Method
title_full	Ce Filling Limit and Its Influence on Thermoelectric Performance of Fe<sub>3</sub>CoSb<sub>12</sub>-Based Skutterudite Grown by a Temperature Gradient Zone Melting Method
title_fullStr	Ce Filling Limit and Its Influence on Thermoelectric Performance of Fe<sub>3</sub>CoSb<sub>12</sub>-Based Skutterudite Grown by a Temperature Gradient Zone Melting Method
title_full_unstemmed	Ce Filling Limit and Its Influence on Thermoelectric Performance of Fe<sub>3</sub>CoSb<sub>12</sub>-Based Skutterudite Grown by a Temperature Gradient Zone Melting Method
title_sort	ce filling limit and its influence on thermoelectric performance of fe<sub>3</sub>cosb<sub>12</sub>-based skutterudite grown by a temperature gradient zone melting method
publisher	MDPI AG
publishDate	2021
url	https://doaj.org/article/840f77540bd34640b0db3129d004e0c8
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Ce Filling Limit and Its Influence on Thermoelectric Performance of Fe<sub>3</sub>CoSb<sub>12</sub>-Based Skutterudite Grown by a Temperature Gradient Zone Melting Method

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