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Issue 36, 2017
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Effect of alloying on thermal conductivity and thermoelectric properties of CoAsS and CoSbS

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Abstract

The effect of alloying on the thermoelectric properties of cobaltite, CoAsS, and paracostibite, CoSbS, has been investigated in this study. Density functional theory and the Boltzmann transport equation have been applied to explore the role of phonon–phonon scattering and atomistic scattering due to alloying in phonon transport. An almost 44% reduction in thermal conductivity of CoAs0.8Sb0.2S alloy compared to pure CoAsS and an ∼15% reduction in thermal conductivity of CoAs0.2Sb0.8S compared to pure CoSbS were found. Simultaneously, the thermoelectric (TE) figure of merit (ZT) increased by ∼11% in p-type CoAs0.8Sb0.2S alloy and ∼8% in n-type CoAs0.2Sb0.8S alloy as compared to their base pure materials at 800 K. We found that by tuning the composition of CoAsxSb(1−x)S alloy, very similar ZT values for both p-type and n-type can be achieved in a large temperature range. We also calculated the TE properties of CoAsSe(1−x)Sx and CoSbS(1−x)Sex alloys. This study will help in designing CoAsxSb(1−x)S based alloys for efficient thermoelectric devices.

Graphical abstract: Effect of alloying on thermal conductivity and thermoelectric properties of CoAsS and CoSbS

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Publication details

The article was received on 31 Jul 2017, accepted on 22 Aug 2017 and first published on 22 Aug 2017


Article type: Paper
DOI: 10.1039/C7CP05170K
Citation: Phys. Chem. Chem. Phys., 2017,19, 24928-24933
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    Effect of alloying on thermal conductivity and thermoelectric properties of CoAsS and CoSbS

    P. Kaur and C. Bera, Phys. Chem. Chem. Phys., 2017, 19, 24928
    DOI: 10.1039/C7CP05170K

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