Article High Thermoelectric Performance in Al- and Sn-Codoped ZnO Nanosheets via Synergistic Band Structure Engineering with Low Thermal Conductivity

Althaf RajaMohamed ; Hyoung-Won Son SAMURAI ORCID (National Institute for Materials Science) ; Takao Mori SAMURAI ORCID (National Institute for Materials Science) ; Anuradha M. Ashok

MDI-ACS Applied Energy Materials-High Thermoelectric Performance in Al- and Sn-Codoped ZnO Nanosheets via Synergistic Band Structure Engineering with Low Thermal Conductivity.pdf
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Althaf RajaMohamed, Hyoung-Won Son, Takao Mori, Anuradha M. Ashok. High Thermoelectric Performance in Al- and Sn-Codoped ZnO Nanosheets via Synergistic Band Structure Engineering with Low Thermal Conductivity. ACS Applied Energy Materials. 2025, 8 (13), 8921-8936. https://doi.org/10.1021/acsaem.5c00253

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(abstract)

Band structure engineering is an effective way to improve the Seebeck coefficient without affecting the electrical conductivity. This study Al 3s state hybridized with Zn 4s state shifts the Fermi level inside the conduction band in Al, Sn codoped ZnO exposing its metallic behavior. Sn impurity creates large density of states near Fermi level leading to high Seebeck coefficient. In this material, in addition to scattering of low-frequency phonons by interfaces and of high-frequency phonons by point defects, scattering of mid-frequency phonons by dense dislocations, localized at the grain boundaries, has been an effective strategy to reduce the lattice thermal conductivity. Dual doping creates low angle grain boundaries composed of dislocation arrays with a misorientation less than about 13.5°. These dislocation arrays along with lattice strain significantly reduce the thermal conductivity to 6.391 W m-1K-1 at room temperature in Zn0.97Al0.02Sn0.01O. All these effects lead to a high figure of merit ZT of 0.61 at 997 K. A single leg thermoelement fabricated using Zn0.97Al0.02Sn0.01O shows an open circuit voltage of 122 mV with DT at 500K.

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  • In Copyright

    This document is the unedited Author’s version of a Submitted Work that was subsequently accepted for publication in ACS Applied Energy Materials, copyright © 2025 American Chemical Society] after peer review. To access the final edited and published work see https://doi.org/10.1021/acsaem.5c00253.

Keyword: thermoelectric

Date published: 2025-07-14

Publisher: American Chemical Society (ACS)

Journal:

  • ACS Applied Energy Materials (ISSN: 25740962) vol. 8 issue. 13 p. 8921-8936

Funding:

  • JST-Mirai Program JPMJMI19A1
  • Science and Engineering Research Board EMR/2016/006430

Manuscript type: Author's version (Submitted manuscript)

MDR DOI: https://doi.org/10.48505/nims.5871

First published URL: https://doi.org/10.1021/acsaem.5c00253

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Updated at: 2025-11-10 12:30:09 +0900

Published on MDR: 2025-11-10 12:24:32 +0900

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