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Improvement of thermoelectric properties and their correlations with electron effective mass in Cu1.98SxSe1−x

Journal Article


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Abstract


  • Sulphur doping effects on the crystal structures, thermoelectric properties, density-of-states, and

    effective mass in Cu1.98SxSe1−x were studied based on the electrical and thermal transport property

    measurements, and first-principles calculations. The X-ray diffraction patterns and Rietveld refinements

    indicate that room temperature Cu1.98SxSe1−x (x=0, 0.02, 0.08, 0.16) and Cu1.98SxSe1−x (x=0.8, 0.9,

    1.0) have the same crystal structure as monoclinic-Cu2Se and orthorhombic-Cu2S, respectively. Sulphur

    doping can greatly enhance zT values when x is in the range of 0.8≤×≤1.0. Furthermore, all doped

    samples show stable thermoelectric compatibility factors over a broad temperature range from 700

    to 1000K, which could greatly benefit their practical applications. First-principles calculations indicate

    that both the electron density-of-sates and the effective mass for all the compounds exhibit nonmonotonic

    sulphur doping dependence. It is concluded that the overall thermoelectric performance of

    the Cu1.98SxSe1−x system is mainly correlated with the electron effective mass and the density-of-states.

Authors


  •   Zhao, Lanling (external author)
  •   Yun, Frank (external author)
  •   Wang, Jun (external author)
  •   Wang, Funing (external author)
  •   Wang, Chunlei (external author)
  •   Li, Jichao (external author)
  •   Wang, Ji-Yang (external author)
  •   Cheng, Zhenxiang
  •   Dou, Shi Xue
  •   Wang, Xiaolin

Publication Date


  • 2017

Citation


  • Zhao, L., Fei, F., Wang, J., Wang, F., Wang, C., Li, J., Wang, J., Cheng, Z., Dou, S. & Wang, X. (2017). Improvement of thermoelectric properties and their correlations with electron effective mass in Cu1.98SxSe1−x. Scientific Reports, 7 40436-1-40436-11.

Scopus Eid


  • 2-s2.0-85009858886

Ro Full-text Url


  • http://ro.uow.edu.au/cgi/viewcontent.cgi?article=3365&context=aiimpapers

Ro Metadata Url


  • http://ro.uow.edu.au/aiimpapers/2342

Has Global Citation Frequency


Start Page


  • 40436-1

End Page


  • 40436-11

Volume


  • 7

Place Of Publication


  • United Kingdom

Abstract


  • Sulphur doping effects on the crystal structures, thermoelectric properties, density-of-states, and

    effective mass in Cu1.98SxSe1−x were studied based on the electrical and thermal transport property

    measurements, and first-principles calculations. The X-ray diffraction patterns and Rietveld refinements

    indicate that room temperature Cu1.98SxSe1−x (x=0, 0.02, 0.08, 0.16) and Cu1.98SxSe1−x (x=0.8, 0.9,

    1.0) have the same crystal structure as monoclinic-Cu2Se and orthorhombic-Cu2S, respectively. Sulphur

    doping can greatly enhance zT values when x is in the range of 0.8≤×≤1.0. Furthermore, all doped

    samples show stable thermoelectric compatibility factors over a broad temperature range from 700

    to 1000K, which could greatly benefit their practical applications. First-principles calculations indicate

    that both the electron density-of-sates and the effective mass for all the compounds exhibit nonmonotonic

    sulphur doping dependence. It is concluded that the overall thermoelectric performance of

    the Cu1.98SxSe1−x system is mainly correlated with the electron effective mass and the density-of-states.

Authors


  •   Zhao, Lanling (external author)
  •   Yun, Frank (external author)
  •   Wang, Jun (external author)
  •   Wang, Funing (external author)
  •   Wang, Chunlei (external author)
  •   Li, Jichao (external author)
  •   Wang, Ji-Yang (external author)
  •   Cheng, Zhenxiang
  •   Dou, Shi Xue
  •   Wang, Xiaolin

Publication Date


  • 2017

Citation


  • Zhao, L., Fei, F., Wang, J., Wang, F., Wang, C., Li, J., Wang, J., Cheng, Z., Dou, S. & Wang, X. (2017). Improvement of thermoelectric properties and their correlations with electron effective mass in Cu1.98SxSe1−x. Scientific Reports, 7 40436-1-40436-11.

Scopus Eid


  • 2-s2.0-85009858886

Ro Full-text Url


  • http://ro.uow.edu.au/cgi/viewcontent.cgi?article=3365&context=aiimpapers

Ro Metadata Url


  • http://ro.uow.edu.au/aiimpapers/2342

Has Global Citation Frequency


Start Page


  • 40436-1

End Page


  • 40436-11

Volume


  • 7

Place Of Publication


  • United Kingdom