SnO as a potential oxide thermoelectric candidate

Samuel A. Miller, Prashun Gorai, Umut Aydemir, Thomas O Mason, Vladan Stevanović, Eric S. Toberer, G. Jeffrey Snyder

Research output: Contribution to journalArticle

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Abstract

In the search for new thermoelectric materials, high-throughput calculations using a combination of semiempirical models and first principles density functional theory present a path to screen large numbers of compounds for the most promising candidates. Using this method, we have assessed 735 oxide materials for their thermoelectric performance potential, and identified SnO as an n-type candidate. Computations indicate a dispersive and doubly degenerate conduction band edge as well as lone pair electrons. Lone pair s-orbital semiconductors have demonstrated unusual properties in their electronic structure and thermal properties, making SnO a material of interest for applications including oxide electronics and thermoelectrics. We report thermal conductivity as low as 0.75 W m-1 K-1 at 525 K for bulk, polycrystalline SnO. The Hall effect and Seebeck coefficient were measured and a high p-type mobility of 30 cm2 V-1 s-1 at room temperature for a polycrystalline sample is reported. The stability is computationally assessed, offering insight into the challenges associated with achieving n-type behavior.

Original languageEnglish
Pages (from-to)8854-8861
Number of pages8
JournalJournal of Materials Chemistry C
Volume5
Issue number34
DOIs
Publication statusPublished - Jan 1 2017

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Oxides
Seebeck coefficient
Hall effect
Conduction bands
Electronic structure
Density functional theory
Thermal conductivity
Electronic equipment
Thermodynamic properties
Throughput
Semiconductor materials
Electrons
Temperature

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Chemistry

Cite this

Miller, S. A., Gorai, P., Aydemir, U., Mason, T. O., Stevanović, V., Toberer, E. S., & Jeffrey Snyder, G. (2017). SnO as a potential oxide thermoelectric candidate. Journal of Materials Chemistry C, 5(34), 8854-8861. https://doi.org/10.1039/c7tc01623a

SnO as a potential oxide thermoelectric candidate. / Miller, Samuel A.; Gorai, Prashun; Aydemir, Umut; Mason, Thomas O; Stevanović, Vladan; Toberer, Eric S.; Jeffrey Snyder, G.

In: Journal of Materials Chemistry C, Vol. 5, No. 34, 01.01.2017, p. 8854-8861.

Research output: Contribution to journalArticle

Miller, SA, Gorai, P, Aydemir, U, Mason, TO, Stevanović, V, Toberer, ES & Jeffrey Snyder, G 2017, 'SnO as a potential oxide thermoelectric candidate', Journal of Materials Chemistry C, vol. 5, no. 34, pp. 8854-8861. https://doi.org/10.1039/c7tc01623a
Miller SA, Gorai P, Aydemir U, Mason TO, Stevanović V, Toberer ES et al. SnO as a potential oxide thermoelectric candidate. Journal of Materials Chemistry C. 2017 Jan 1;5(34):8854-8861. https://doi.org/10.1039/c7tc01623a
Miller, Samuel A. ; Gorai, Prashun ; Aydemir, Umut ; Mason, Thomas O ; Stevanović, Vladan ; Toberer, Eric S. ; Jeffrey Snyder, G. / SnO as a potential oxide thermoelectric candidate. In: Journal of Materials Chemistry C. 2017 ; Vol. 5, No. 34. pp. 8854-8861.
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