Manipulating the Combustion Wave during Self-Propagating Synthesis for High Thermoelectric Performance of Layered Oxychalcogenide Bi1-xPbxCuSeO

Dongwang Yang, Xianli Su, Yonggao Yan, Tiezheng Hu, Hongyao Xie, Jian He, Ctirad Uher, Mercouri G Kanatzidis, Xinfeng Tang

Research output: Contribution to journalArticle

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Abstract

Novel time- and energy-efficient synthesis methods, especially those adaptable to large-scale industrial processing, are of vital importance for broader applications of thermoelectrics. We herein reported a case study of layer-structured oxychalcogenides Bi1-xPbxCuSeO (x = 0-10%) with emphases on the reaction mechanism of self-propagating high-temperature synthesis (SHS) and the impact of SHS conditions on the thermoelectric properties. The combined results of X-ray powder diffraction, differential scanning calorimetry, and quenching experiments corroborated that the SHS process of BiCuSeO consisted two fast binary SHS reactions (2 Bi+3 Se → Bi2Se3 and 2 Cu+Se → Cu2Se) intimately coupled with two relatively slow solid-state diffusion reactions (2 Bi2Se3+B2O3 → 3 Bi2SeO2 and then Bi2SeO2+Cu2Se → 2 BiCuSeO). The formation rate of the reaction intermediate Bi2SeO2 was the bottleneck in the SHS process of BiCuSeO. Importantly, we found that adding PbO in the starting materials has (i) facilitated the formation of Bi2SeO2 and thus significantly reduced the SHS reaction time; (ii) improved the phase purity and sample homogeneity; (iii) increased the power factor via increasing both carrier concentration and effective mass; and (iv) reduced the lattice thermal conductivity via more point defect phonon scattering. As a result, a state-of-the-art ZT value ∼1.2 has been attained at 923 K for Bi0.94Pb0.06CuSeO. These results not only open a new avenue for mass production of single phased multinary thermoelectric materials but also inspire more investigation into the SHS mechanisms of multinary materials in diverse fields of material science and engineering.

Original languageEnglish
Pages (from-to)4628-4640
Number of pages13
JournalChemistry of Materials
Volume28
Issue number13
DOIs
Publication statusPublished - Jul 12 2016

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Reaction intermediates
Phonon scattering
Point defects
Materials science
Crystal lattices
X ray powder diffraction
Carrier concentration
Differential scanning calorimetry
Quenching
Thermal conductivity
Processing
Experiments
Temperature
boron oxide

ASJC Scopus subject areas

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

Cite this

Manipulating the Combustion Wave during Self-Propagating Synthesis for High Thermoelectric Performance of Layered Oxychalcogenide Bi1-xPbxCuSeO. / Yang, Dongwang; Su, Xianli; Yan, Yonggao; Hu, Tiezheng; Xie, Hongyao; He, Jian; Uher, Ctirad; Kanatzidis, Mercouri G; Tang, Xinfeng.

In: Chemistry of Materials, Vol. 28, No. 13, 12.07.2016, p. 4628-4640.

Research output: Contribution to journalArticle

Yang, Dongwang ; Su, Xianli ; Yan, Yonggao ; Hu, Tiezheng ; Xie, Hongyao ; He, Jian ; Uher, Ctirad ; Kanatzidis, Mercouri G ; Tang, Xinfeng. / Manipulating the Combustion Wave during Self-Propagating Synthesis for High Thermoelectric Performance of Layered Oxychalcogenide Bi1-xPbxCuSeO. In: Chemistry of Materials. 2016 ; Vol. 28, No. 13. pp. 4628-4640.
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abstract = "Novel time- and energy-efficient synthesis methods, especially those adaptable to large-scale industrial processing, are of vital importance for broader applications of thermoelectrics. We herein reported a case study of layer-structured oxychalcogenides Bi1-xPbxCuSeO (x = 0-10{\%}) with emphases on the reaction mechanism of self-propagating high-temperature synthesis (SHS) and the impact of SHS conditions on the thermoelectric properties. The combined results of X-ray powder diffraction, differential scanning calorimetry, and quenching experiments corroborated that the SHS process of BiCuSeO consisted two fast binary SHS reactions (2 Bi+3 Se → Bi2Se3 and 2 Cu+Se → Cu2Se) intimately coupled with two relatively slow solid-state diffusion reactions (2 Bi2Se3+B2O3 → 3 Bi2SeO2 and then Bi2SeO2+Cu2Se → 2 BiCuSeO). The formation rate of the reaction intermediate Bi2SeO2 was the bottleneck in the SHS process of BiCuSeO. Importantly, we found that adding PbO in the starting materials has (i) facilitated the formation of Bi2SeO2 and thus significantly reduced the SHS reaction time; (ii) improved the phase purity and sample homogeneity; (iii) increased the power factor via increasing both carrier concentration and effective mass; and (iv) reduced the lattice thermal conductivity via more point defect phonon scattering. As a result, a state-of-the-art ZT value ∼1.2 has been attained at 923 K for Bi0.94Pb0.06CuSeO. These results not only open a new avenue for mass production of single phased multinary thermoelectric materials but also inspire more investigation into the SHS mechanisms of multinary materials in diverse fields of material science and engineering.",
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AU - Yang, Dongwang

AU - Su, Xianli

AU - Yan, Yonggao

AU - Hu, Tiezheng

AU - Xie, Hongyao

AU - He, Jian

AU - Uher, Ctirad

AU - Kanatzidis, Mercouri G

AU - Tang, Xinfeng

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AB - Novel time- and energy-efficient synthesis methods, especially those adaptable to large-scale industrial processing, are of vital importance for broader applications of thermoelectrics. We herein reported a case study of layer-structured oxychalcogenides Bi1-xPbxCuSeO (x = 0-10%) with emphases on the reaction mechanism of self-propagating high-temperature synthesis (SHS) and the impact of SHS conditions on the thermoelectric properties. The combined results of X-ray powder diffraction, differential scanning calorimetry, and quenching experiments corroborated that the SHS process of BiCuSeO consisted two fast binary SHS reactions (2 Bi+3 Se → Bi2Se3 and 2 Cu+Se → Cu2Se) intimately coupled with two relatively slow solid-state diffusion reactions (2 Bi2Se3+B2O3 → 3 Bi2SeO2 and then Bi2SeO2+Cu2Se → 2 BiCuSeO). The formation rate of the reaction intermediate Bi2SeO2 was the bottleneck in the SHS process of BiCuSeO. Importantly, we found that adding PbO in the starting materials has (i) facilitated the formation of Bi2SeO2 and thus significantly reduced the SHS reaction time; (ii) improved the phase purity and sample homogeneity; (iii) increased the power factor via increasing both carrier concentration and effective mass; and (iv) reduced the lattice thermal conductivity via more point defect phonon scattering. As a result, a state-of-the-art ZT value ∼1.2 has been attained at 923 K for Bi0.94Pb0.06CuSeO. These results not only open a new avenue for mass production of single phased multinary thermoelectric materials but also inspire more investigation into the SHS mechanisms of multinary materials in diverse fields of material science and engineering.

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