Role of sodium doping in lead chalcogenide thermoelectrics

Jiaqing He, Li Dong Zhao, Jin Cheng Zheng, Jeff W. Doak, Haijun Wu, Hui Qiong Wang, Yeseul Lee, Chris Wolverton, Mercouri G Kanatzidis, Vinayak P. Dravid

Research output: Contribution to journalArticle

80 Citations (Scopus)

Abstract

The solubility of sodium and its effects on phonon scattering in lead chalcogenide PbQ (Q = Te, Se, S) family of thermoelectric materials was investigated by means of transmission electron microscopy and density functional calculations. Among these three systems, Na has the highest solubility limit (∼2 mol %) in PbS and the lowest ∼0.5 mol %) in PbTe. First-principles electronic structure calculations support the observations, indicating that Na defects have the lowest formation energy in PbS and the highest in PbTe. It was also found that in addition to providing charge carriers (holes) for PbQ, Na introduces point defects (solid solution formation) and nanoscale precipitates; both reduce the lattice thermal conductivity by scattering heat-carrying phonons. These results explain the recent reports of high thermoelectric performance in p-type PbQ materials and may lead to further advances in this class of materials.

Original languageEnglish
Pages (from-to)4624-4627
Number of pages4
JournalJournal of the American Chemical Society
Volume135
Issue number12
DOIs
Publication statusPublished - Mar 27 2013

Fingerprint

Phonons
Solubility
Lead
Sodium
Doping (additives)
Thermal Conductivity
Transmission Electron Microscopy
Phonon scattering
Hot Temperature
Point defects
Charge carriers
Electronic structure
Density functional theory
Carrier concentration
Precipitates
Solid solutions
Thermal conductivity
Scattering
Transmission electron microscopy
Defects

ASJC Scopus subject areas

  • Chemistry(all)
  • Catalysis
  • Biochemistry
  • Colloid and Surface Chemistry

Cite this

He, J., Zhao, L. D., Zheng, J. C., Doak, J. W., Wu, H., Wang, H. Q., ... Dravid, V. P. (2013). Role of sodium doping in lead chalcogenide thermoelectrics. Journal of the American Chemical Society, 135(12), 4624-4627. https://doi.org/10.1021/ja312562d

Role of sodium doping in lead chalcogenide thermoelectrics. / He, Jiaqing; Zhao, Li Dong; Zheng, Jin Cheng; Doak, Jeff W.; Wu, Haijun; Wang, Hui Qiong; Lee, Yeseul; Wolverton, Chris; Kanatzidis, Mercouri G; Dravid, Vinayak P.

In: Journal of the American Chemical Society, Vol. 135, No. 12, 27.03.2013, p. 4624-4627.

Research output: Contribution to journalArticle

He, J, Zhao, LD, Zheng, JC, Doak, JW, Wu, H, Wang, HQ, Lee, Y, Wolverton, C, Kanatzidis, MG & Dravid, VP 2013, 'Role of sodium doping in lead chalcogenide thermoelectrics', Journal of the American Chemical Society, vol. 135, no. 12, pp. 4624-4627. https://doi.org/10.1021/ja312562d
He J, Zhao LD, Zheng JC, Doak JW, Wu H, Wang HQ et al. Role of sodium doping in lead chalcogenide thermoelectrics. Journal of the American Chemical Society. 2013 Mar 27;135(12):4624-4627. https://doi.org/10.1021/ja312562d
He, Jiaqing ; Zhao, Li Dong ; Zheng, Jin Cheng ; Doak, Jeff W. ; Wu, Haijun ; Wang, Hui Qiong ; Lee, Yeseul ; Wolverton, Chris ; Kanatzidis, Mercouri G ; Dravid, Vinayak P. / Role of sodium doping in lead chalcogenide thermoelectrics. In: Journal of the American Chemical Society. 2013 ; Vol. 135, No. 12. pp. 4624-4627.
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