The New Semiconductor Cs4Cu3Bi9S17

Jing Zhao, Saiful M. Islam, Gangjian Tan, Shiqiang Hao, Chris Wolverton, R. K. Li, Mercouri G Kanatzidis

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

New quaternary chalcogenide Cs4Cu3Bi9S17 has been synthesized by solid state reaction in a vacuum-sealed silica tube. Cs4Cu3Bi9S17 adopts monoclinic space group P21/m, with the following dimensions: a = 20.006(4) Å, b = 4.0556(8) Å, c = 22.279(5) Å, and β = 96.921°. The crystal structure of Cs4Cu3Bi9S17 features a unique three-dimensional framework consisting of interconnected Bi2Te3- and CdI2-type fragments forming three different-sized tunnels running parallel to the b-axis. The tunnels are filled with different numbers (1, 2, or 4) of Cs atoms. Cs4Cu3Bi9S17 is stable in air at room temperature, and differential thermal analysis showed that it decomposes at elevated temperatures. Cs4Cu3Bi9S17 is a semiconductor with a direct optical band gap of 0.9 eV, which is in agreement with density functional theory calculations. Electrical conductivity and Seebeck coefficient measurements show n-type semiconductor behavior. The electrical conductivity is 10-4 S/cm at 300 K and increases to 0.9 S/cm at 773 K. Cs4Cu3Bi9S17 possesses a very low thermal conductivity of 0.71 W m-1 K-1 at room temperature that decreases linearly with an increase in temperature to 0.46 W m-1 K-1 at 773 K. The low thermal conductivity shows the promise of Cs4Cu3Bi9S17 as a new thermoelectric material with appropriate doping.

Original languageEnglish
Pages (from-to)1744-1751
Number of pages8
JournalChemistry of Materials
Volume29
Issue number4
DOIs
Publication statusPublished - Feb 28 2017

Fingerprint

Semiconductor materials
Thermal conductivity
Tunnels
Temperature
Seebeck coefficient
Optical band gaps
Solid state reactions
Silicon Dioxide
Differential thermal analysis
Density functional theory
Crystal structure
Silica
Doping (additives)
Vacuum
Atoms
Air
Electric Conductivity

ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)
  • Materials Chemistry

Cite this

Zhao, J., Islam, S. M., Tan, G., Hao, S., Wolverton, C., Li, R. K., & Kanatzidis, M. G. (2017). The New Semiconductor Cs4Cu3Bi9S17. Chemistry of Materials, 29(4), 1744-1751. https://doi.org/10.1021/acs.chemmater.6b05298

The New Semiconductor Cs4Cu3Bi9S17. / Zhao, Jing; Islam, Saiful M.; Tan, Gangjian; Hao, Shiqiang; Wolverton, Chris; Li, R. K.; Kanatzidis, Mercouri G.

In: Chemistry of Materials, Vol. 29, No. 4, 28.02.2017, p. 1744-1751.

Research output: Contribution to journalArticle

Zhao, J, Islam, SM, Tan, G, Hao, S, Wolverton, C, Li, RK & Kanatzidis, MG 2017, 'The New Semiconductor Cs4Cu3Bi9S17', Chemistry of Materials, vol. 29, no. 4, pp. 1744-1751. https://doi.org/10.1021/acs.chemmater.6b05298
Zhao J, Islam SM, Tan G, Hao S, Wolverton C, Li RK et al. The New Semiconductor Cs4Cu3Bi9S17. Chemistry of Materials. 2017 Feb 28;29(4):1744-1751. https://doi.org/10.1021/acs.chemmater.6b05298
Zhao, Jing ; Islam, Saiful M. ; Tan, Gangjian ; Hao, Shiqiang ; Wolverton, Chris ; Li, R. K. ; Kanatzidis, Mercouri G. / The New Semiconductor Cs4Cu3Bi9S17. In: Chemistry of Materials. 2017 ; Vol. 29, No. 4. pp. 1744-1751.
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AB - New quaternary chalcogenide Cs4Cu3Bi9S17 has been synthesized by solid state reaction in a vacuum-sealed silica tube. Cs4Cu3Bi9S17 adopts monoclinic space group P21/m, with the following dimensions: a = 20.006(4) Å, b = 4.0556(8) Å, c = 22.279(5) Å, and β = 96.921°. The crystal structure of Cs4Cu3Bi9S17 features a unique three-dimensional framework consisting of interconnected Bi2Te3- and CdI2-type fragments forming three different-sized tunnels running parallel to the b-axis. The tunnels are filled with different numbers (1, 2, or 4) of Cs atoms. Cs4Cu3Bi9S17 is stable in air at room temperature, and differential thermal analysis showed that it decomposes at elevated temperatures. Cs4Cu3Bi9S17 is a semiconductor with a direct optical band gap of 0.9 eV, which is in agreement with density functional theory calculations. Electrical conductivity and Seebeck coefficient measurements show n-type semiconductor behavior. The electrical conductivity is 10-4 S/cm at 300 K and increases to 0.9 S/cm at 773 K. Cs4Cu3Bi9S17 possesses a very low thermal conductivity of 0.71 W m-1 K-1 at room temperature that decreases linearly with an increase in temperature to 0.46 W m-1 K-1 at 773 K. The low thermal conductivity shows the promise of Cs4Cu3Bi9S17 as a new thermoelectric material with appropriate doping.

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