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Unequal bonding in Ag–CuIn(3)Se(5)-based solid solutions responsible for reduction in lattice thermal conductivity and improvement in thermoelectric performance
Owing to their unique crystal and band structures, in thermoelectrics increasing attention has recently been paid to compounds of the ternary I–III–VI chalcopyrite family. In this work, unequal bonding between cation and anion pairs in Cu(1−y)Ag(y)In(3)Se(4.9)Te(0.1) solid solutions, which can be ef...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2018
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9078635/ https://www.ncbi.nlm.nih.gov/pubmed/35541853 http://dx.doi.org/10.1039/c8ra00316e |
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author | Cui, Jiaolin Lu, Yufu Chen, Shaoping Liu, Xianglian Du, Zhengliang |
author_facet | Cui, Jiaolin Lu, Yufu Chen, Shaoping Liu, Xianglian Du, Zhengliang |
author_sort | Cui, Jiaolin |
collection | PubMed |
description | Owing to their unique crystal and band structures, in thermoelectrics increasing attention has recently been paid to compounds of the ternary I–III–VI chalcopyrite family. In this work, unequal bonding between cation and anion pairs in Cu(1−y)Ag(y)In(3)Se(4.9)Te(0.1) solid solutions, which can be effectively used to disturb phonon transport, has been proposed. The unequal bonding, which is represented by the difference of bond lengths Δd, Δd = d((Cu–Se)) − d((In–Se)) and anion position displacement from its equilibrium position Δu = u − 0.25, is created by the isoelectronic substitution of Ag for Cu. At y = 0.2 both the Δd and Δu values reach their maxima, resulting in a remarkable reduction in lattice thermal conductivity (κ(L)) and an improvement in TE performance. However, as the y value increase to 0.3 both Δd and Δu values decrease, causing the κ(L) value to increase and the ZT value to decrease from 0.5 to 0.24 at 930 K. Accordingly, unequal bonding might be an alternative way to improve the TE performance of ternary chalcopyrites. |
format | Online Article Text |
id | pubmed-9078635 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | The Royal Society of Chemistry |
record_format | MEDLINE/PubMed |
spelling | pubmed-90786352022-05-09 Unequal bonding in Ag–CuIn(3)Se(5)-based solid solutions responsible for reduction in lattice thermal conductivity and improvement in thermoelectric performance Cui, Jiaolin Lu, Yufu Chen, Shaoping Liu, Xianglian Du, Zhengliang RSC Adv Chemistry Owing to their unique crystal and band structures, in thermoelectrics increasing attention has recently been paid to compounds of the ternary I–III–VI chalcopyrite family. In this work, unequal bonding between cation and anion pairs in Cu(1−y)Ag(y)In(3)Se(4.9)Te(0.1) solid solutions, which can be effectively used to disturb phonon transport, has been proposed. The unequal bonding, which is represented by the difference of bond lengths Δd, Δd = d((Cu–Se)) − d((In–Se)) and anion position displacement from its equilibrium position Δu = u − 0.25, is created by the isoelectronic substitution of Ag for Cu. At y = 0.2 both the Δd and Δu values reach their maxima, resulting in a remarkable reduction in lattice thermal conductivity (κ(L)) and an improvement in TE performance. However, as the y value increase to 0.3 both Δd and Δu values decrease, causing the κ(L) value to increase and the ZT value to decrease from 0.5 to 0.24 at 930 K. Accordingly, unequal bonding might be an alternative way to improve the TE performance of ternary chalcopyrites. The Royal Society of Chemistry 2018-03-05 /pmc/articles/PMC9078635/ /pubmed/35541853 http://dx.doi.org/10.1039/c8ra00316e Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by/3.0/ |
spellingShingle | Chemistry Cui, Jiaolin Lu, Yufu Chen, Shaoping Liu, Xianglian Du, Zhengliang Unequal bonding in Ag–CuIn(3)Se(5)-based solid solutions responsible for reduction in lattice thermal conductivity and improvement in thermoelectric performance |
title | Unequal bonding in Ag–CuIn(3)Se(5)-based solid solutions responsible for reduction in lattice thermal conductivity and improvement in thermoelectric performance |
title_full | Unequal bonding in Ag–CuIn(3)Se(5)-based solid solutions responsible for reduction in lattice thermal conductivity and improvement in thermoelectric performance |
title_fullStr | Unequal bonding in Ag–CuIn(3)Se(5)-based solid solutions responsible for reduction in lattice thermal conductivity and improvement in thermoelectric performance |
title_full_unstemmed | Unequal bonding in Ag–CuIn(3)Se(5)-based solid solutions responsible for reduction in lattice thermal conductivity and improvement in thermoelectric performance |
title_short | Unequal bonding in Ag–CuIn(3)Se(5)-based solid solutions responsible for reduction in lattice thermal conductivity and improvement in thermoelectric performance |
title_sort | unequal bonding in ag–cuin(3)se(5)-based solid solutions responsible for reduction in lattice thermal conductivity and improvement in thermoelectric performance |
topic | Chemistry |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9078635/ https://www.ncbi.nlm.nih.gov/pubmed/35541853 http://dx.doi.org/10.1039/c8ra00316e |
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