Effects of doping on transport properties in Cu-Bi-Se-based thermoelectric materials

Jae Yeol Hwang, Hyeon A. Mun, Sang Il Kim, Ki Moon Lee, Jungeun Kim, Kyu Hyoung Lee, Sung Wng Kim

Research output: Contribution to journalArticle

17 Citations (Scopus)

Abstract

The thermoelectric properties of Zn-, In-, and I-doped Cu1.7Bi4.7Se8 pavonite homologues were investigated in the temperature range from 300 to 560 K. On the basis of the comprehensive structural analysis using Rietveld refinement of synchrotron radiation diffraction for Cux+yBi5-ySe8 compounds with the inherently disordered crystallographic sites, we demonstrate a doping strategy that provides a simultaneous control for enhanced electronic transport properties by the optimization of carrier concentration and exceptionally low lattice thermal conductivity by the formation of point defects. Substituted Zn or In ions on Cu site was found to be an effective phonon scattering center as well as an electron donor, while doping on Bi site showed a moderate effect for phonon scattering. In addition, we achieved largely enhanced power factor in small amount of In doping on Cu site by increased electrical conductivity and moderately decreased Seebeck coefficient. Coupled with a low lattice thermal conductivity originated from intensified point defect phonon scattering by substituted In ions with host Cu ions, a thermoelectric figure of merit ZT of 0.24 at 560 K for Cu1.6915In0.0085Bi4.7Se8 was achieved, yielding 30% enhancement compared with that of a pristine Cu1.7Bi4.7Se8 at the same temperature.

Original languageEnglish
Pages (from-to)12732-12738
Number of pages7
JournalInorganic Chemistry
Volume53
Issue number24
DOIs
Publication statusPublished - 2014 Dec 15

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Phonon scattering
thermoelectric materials
Transport properties
transport properties
Doping (additives)
Point defects
Ions
Crystal lattices
point defects
Thermal conductivity
thermal conductivity
scattering
ions
Rietveld refinement
Seebeck coefficient
Seebeck effect
Synchrotron radiation
structural analysis
Structural analysis
figure of merit

All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry

Cite this

Hwang, J. Y., Mun, H. A., Kim, S. I., Lee, K. M., Kim, J., Lee, K. H., & Kim, S. W. (2014). Effects of doping on transport properties in Cu-Bi-Se-based thermoelectric materials. Inorganic Chemistry, 53(24), 12732-12738. https://doi.org/10.1021/ic5014945
Hwang, Jae Yeol ; Mun, Hyeon A. ; Kim, Sang Il ; Lee, Ki Moon ; Kim, Jungeun ; Lee, Kyu Hyoung ; Kim, Sung Wng. / Effects of doping on transport properties in Cu-Bi-Se-based thermoelectric materials. In: Inorganic Chemistry. 2014 ; Vol. 53, No. 24. pp. 12732-12738.
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abstract = "The thermoelectric properties of Zn-, In-, and I-doped Cu1.7Bi4.7Se8 pavonite homologues were investigated in the temperature range from 300 to 560 K. On the basis of the comprehensive structural analysis using Rietveld refinement of synchrotron radiation diffraction for Cux+yBi5-ySe8 compounds with the inherently disordered crystallographic sites, we demonstrate a doping strategy that provides a simultaneous control for enhanced electronic transport properties by the optimization of carrier concentration and exceptionally low lattice thermal conductivity by the formation of point defects. Substituted Zn or In ions on Cu site was found to be an effective phonon scattering center as well as an electron donor, while doping on Bi site showed a moderate effect for phonon scattering. In addition, we achieved largely enhanced power factor in small amount of In doping on Cu site by increased electrical conductivity and moderately decreased Seebeck coefficient. Coupled with a low lattice thermal conductivity originated from intensified point defect phonon scattering by substituted In ions with host Cu ions, a thermoelectric figure of merit ZT of 0.24 at 560 K for Cu1.6915In0.0085Bi4.7Se8 was achieved, yielding 30{\%} enhancement compared with that of a pristine Cu1.7Bi4.7Se8 at the same temperature.",
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Hwang, JY, Mun, HA, Kim, SI, Lee, KM, Kim, J, Lee, KH & Kim, SW 2014, 'Effects of doping on transport properties in Cu-Bi-Se-based thermoelectric materials', Inorganic Chemistry, vol. 53, no. 24, pp. 12732-12738. https://doi.org/10.1021/ic5014945

Effects of doping on transport properties in Cu-Bi-Se-based thermoelectric materials. / Hwang, Jae Yeol; Mun, Hyeon A.; Kim, Sang Il; Lee, Ki Moon; Kim, Jungeun; Lee, Kyu Hyoung; Kim, Sung Wng.

In: Inorganic Chemistry, Vol. 53, No. 24, 15.12.2014, p. 12732-12738.

Research output: Contribution to journalArticle

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AU - Hwang, Jae Yeol

AU - Mun, Hyeon A.

AU - Kim, Sang Il

AU - Lee, Ki Moon

AU - Kim, Jungeun

AU - Lee, Kyu Hyoung

AU - Kim, Sung Wng

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N2 - The thermoelectric properties of Zn-, In-, and I-doped Cu1.7Bi4.7Se8 pavonite homologues were investigated in the temperature range from 300 to 560 K. On the basis of the comprehensive structural analysis using Rietveld refinement of synchrotron radiation diffraction for Cux+yBi5-ySe8 compounds with the inherently disordered crystallographic sites, we demonstrate a doping strategy that provides a simultaneous control for enhanced electronic transport properties by the optimization of carrier concentration and exceptionally low lattice thermal conductivity by the formation of point defects. Substituted Zn or In ions on Cu site was found to be an effective phonon scattering center as well as an electron donor, while doping on Bi site showed a moderate effect for phonon scattering. In addition, we achieved largely enhanced power factor in small amount of In doping on Cu site by increased electrical conductivity and moderately decreased Seebeck coefficient. Coupled with a low lattice thermal conductivity originated from intensified point defect phonon scattering by substituted In ions with host Cu ions, a thermoelectric figure of merit ZT of 0.24 at 560 K for Cu1.6915In0.0085Bi4.7Se8 was achieved, yielding 30% enhancement compared with that of a pristine Cu1.7Bi4.7Se8 at the same temperature.

AB - The thermoelectric properties of Zn-, In-, and I-doped Cu1.7Bi4.7Se8 pavonite homologues were investigated in the temperature range from 300 to 560 K. On the basis of the comprehensive structural analysis using Rietveld refinement of synchrotron radiation diffraction for Cux+yBi5-ySe8 compounds with the inherently disordered crystallographic sites, we demonstrate a doping strategy that provides a simultaneous control for enhanced electronic transport properties by the optimization of carrier concentration and exceptionally low lattice thermal conductivity by the formation of point defects. Substituted Zn or In ions on Cu site was found to be an effective phonon scattering center as well as an electron donor, while doping on Bi site showed a moderate effect for phonon scattering. In addition, we achieved largely enhanced power factor in small amount of In doping on Cu site by increased electrical conductivity and moderately decreased Seebeck coefficient. Coupled with a low lattice thermal conductivity originated from intensified point defect phonon scattering by substituted In ions with host Cu ions, a thermoelectric figure of merit ZT of 0.24 at 560 K for Cu1.6915In0.0085Bi4.7Se8 was achieved, yielding 30% enhancement compared with that of a pristine Cu1.7Bi4.7Se8 at the same temperature.

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