Chemical Composition Modulation Realizing Remarkable Improvement of Thermoelectric Performance in CuInTe2‑Based Alloy
CuInTe2 (CIT) is one of the typical ternary chalcogenides known for its characteristic mixed polyanionic/polycationic site defects, making it a subject of continuous interest in the field of thermoelectrics. In this work, we propose a chemical composition modulation strategy for CIT by alloying GeTe...
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Published in | ACS applied materials & interfaces Vol. 16; no. 18; pp. 23596 - 23605 |
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Main Authors | , , , , , |
Format | Journal Article |
Language | English |
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American Chemical Society
23.04.2024
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Abstract | CuInTe2 (CIT) is one of the typical ternary chalcogenides known for its characteristic mixed polyanionic/polycationic site defects, making it a subject of continuous interest in the field of thermoelectrics. In this work, we propose a chemical composition modulation strategy for CIT by alloying GeTe and then introducing a copper deficiency (denoted by VCu). This strategy aims to unpin its Fermi level (F r) and shift F r into the valence band (VB) while simultaneously enabling coupling between the optical and acoustic phonon, thereby providing an extra phonon scattering path at low frequencies. The simultaneous composition regulations not only enhance the carrier concentration (n H) to 1019–1020 cm–3 but also significantly reduce the lattice thermal conductivity (κL) to ∼0.48 W m–1 K–1, thus effectively realizing electro-acoustic coordination in the present material. As a consequence, the thermoelectric (TE) performance is remarkably improved with the highest TE figure of merit (ZT) of 1.51 at ∼838 K. This value ranks at a higher level among CIT-based materials, which showcases the great significance of chemical composition modulation. |
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AbstractList | CuInTe2 (CIT) is one of the typical ternary chalcogenides known for its characteristic mixed polyanionic/polycationic site defects, making it a subject of continuous interest in the field of thermoelectrics. In this work, we propose a chemical composition modulation strategy for CIT by alloying GeTe and then introducing a copper deficiency (denoted by VCu). This strategy aims to unpin its Fermi level (Fr) and shift Fr into the valence band (VB) while simultaneously enabling coupling between the optical and acoustic phonon, thereby providing an extra phonon scattering path at low frequencies. The simultaneous composition regulations not only enhance the carrier concentration (nH) to 1019-1020 cm-3 but also significantly reduce the lattice thermal conductivity (κL) to ∼0.48 W m-1 K-1, thus effectively realizing electro-acoustic coordination in the present material. As a consequence, the thermoelectric (TE) performance is remarkably improved with the highest TE figure of merit (ZT) of 1.51 at ∼838 K. This value ranks at a higher level among CIT-based materials, which showcases the great significance of chemical composition modulation. CuInTe2 (CIT) is one of the typical ternary chalcogenides known for its characteristic mixed polyanionic/polycationic site defects, making it a subject of continuous interest in the field of thermoelectrics. In this work, we propose a chemical composition modulation strategy for CIT by alloying GeTe and then introducing a copper deficiency (denoted by VCu). This strategy aims to unpin its Fermi level (F r) and shift F r into the valence band (VB) while simultaneously enabling coupling between the optical and acoustic phonon, thereby providing an extra phonon scattering path at low frequencies. The simultaneous composition regulations not only enhance the carrier concentration (n H) to 1019–1020 cm–3 but also significantly reduce the lattice thermal conductivity (κL) to ∼0.48 W m–1 K–1, thus effectively realizing electro-acoustic coordination in the present material. As a consequence, the thermoelectric (TE) performance is remarkably improved with the highest TE figure of merit (ZT) of 1.51 at ∼838 K. This value ranks at a higher level among CIT-based materials, which showcases the great significance of chemical composition modulation. |
Author | Cui, Jiaolin Du, Zhengliang Li, Xie Luo, Yong Li, Cong Qu, Luping |
AuthorAffiliation | School of Materials and Chemical Engineering Jiangsu Key Laboratory of Micro and Nano Heat Fluid Flow Technology and Energy Application, School of Physical Science and Technology Suzhou University of Science and Technology School of Materials Science and Physics, School of Chemical Engineering and Technology |
AuthorAffiliation_xml | – name: Jiangsu Key Laboratory of Micro and Nano Heat Fluid Flow Technology and Energy Application, School of Physical Science and Technology – name: School of Materials and Chemical Engineering – name: Suzhou University of Science and Technology – name: School of Materials Science and Physics, School of Chemical Engineering and Technology |
Author_xml | – sequence: 1 givenname: Luping surname: Qu fullname: Qu, Luping organization: School of Materials Science and Physics, School of Chemical Engineering and Technology – sequence: 2 givenname: Yong orcidid: 0000-0003-1170-7602 surname: Luo fullname: Luo, Yong email: sulyflying@cumt.edu.cn organization: School of Materials Science and Physics, School of Chemical Engineering and Technology – sequence: 3 givenname: Cong surname: Li fullname: Li, Cong email: cong.li@hpstar.ac.cn organization: Suzhou University of Science and Technology – sequence: 4 givenname: Zhengliang surname: Du fullname: Du, Zhengliang organization: School of Materials and Chemical Engineering – sequence: 5 givenname: Xie surname: Li fullname: Li, Xie organization: School of Materials and Chemical Engineering – sequence: 6 givenname: Jiaolin orcidid: 0000-0002-4110-8347 surname: Cui fullname: Cui, Jiaolin email: cuijl@nbut.edu.cn organization: School of Materials and Chemical Engineering |
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Keywords | lattice thermal conductivity (κL) CuInTe2 thermoelectrics chemical composition modulation copper deficiency (VCu) carrier and phonon transport |
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Title | Chemical Composition Modulation Realizing Remarkable Improvement of Thermoelectric Performance in CuInTe2‑Based Alloy |
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