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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...

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Autores principales: Cui, Jiaolin, Lu, Yufu, Chen, Shaoping, Liu, Xianglian, Du, Zhengliang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2018
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.
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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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