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Volume 15
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10.3390/nano15090684
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Article

Oxygen Vacancy in Magnéli Phases and Its Effect on Thermoelectric Performances

by
Zhou Guan
1,
Chuangshi Feng
1,
Hongquan Song
2,
Lingxu Yang
3,
Xin Wang
1,
Huijun Liu
1,*,
Jiawei Zhang
1,
Fanqian Wei
1,
Xin Yuan
1,
Hengyong Yang
1,
Yu Tang
1 and
Fuxiang Zhang
1,*
1
Songshan Lake Materials Laboratory, Dongguan 523808, China
2
College of Physics and Telecommunication Engineering, Zhoukou Normal University, Zhoukou 466001, China
3
School of Ocean Engineering, Guangzhou Maritime University, Guangzhou 510330, China
*
Authors to whom correspondence should be addressed.
Nanomaterials 2025, 15(9), 684; https://doi.org/10.3390/nano15090684
Submission received: 9 April 2025 / Revised: 24 April 2025 / Accepted: 29 April 2025 / Published: 30 April 2025
(This article belongs to the Special Issue Novel Nanostructures for Thermoelectric Applications)
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Abstract

Magnéli phases exhibit significant potential for applications in electronic materials in energy conversion due to their high electrical conductivity and excellent thermal stability. In this study, single-phase TinO2n−1 (n = 4, 5, 6) bulk materials were successfully prepared by a combination of the carbothermal reduction of nano-sized rutile TiO2 and hot-press sintering methods. The relationships between the phase evolution, microstructural features, and thermoelectric performance were investigated systematically. Synchrotron X-ray diffraction (SXRD) and scanning electron microscopy (SEM) analyses revealed that the Ti4O7 and Ti5O9 materials had single-phase structures with high densities (relative density > 97%) and no obvious grain boundary holes or microcracks. We tested the thermoelectric properties of the Magnéli phases in the temperature range of 300–1100 K. The Magnéli phases exhibited a significant temperature dependence, with peak zT values of 0.17, 0.18, and 0.14 for Ti4O7, Ti5O9, and Ti6O11, respectively, at 1100 K. This variation in thermoelectric performance was mainly attributed to the synergistic effect of the oxygen vacancy concentration and the shear surface density on the carrier concentration and lattice thermal conductivity. Furthermore, the Fermi energy levels and electronic thermal conductivity of the Magnéli phases were calculated using the single parabolic band (SPB) model.
Keywords: Magnéli phase; oxygen vacancy; thermoelectric performance; single parabolic band Magnéli phase; oxygen vacancy; thermoelectric performance; single parabolic band
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MDPI and ACS Style

Guan, Z.; Feng, C.; Song, H.; Yang, L.; Wang, X.; Liu, H.; Zhang, J.; Wei, F.; Yuan, X.; Yang, H.; et al. Oxygen Vacancy in Magnéli Phases and Its Effect on Thermoelectric Performances. Nanomaterials 2025, 15, 684. https://doi.org/10.3390/nano15090684

AMA Style

Guan Z, Feng C, Song H, Yang L, Wang X, Liu H, Zhang J, Wei F, Yuan X, Yang H, et al. Oxygen Vacancy in Magnéli Phases and Its Effect on Thermoelectric Performances. Nanomaterials. 2025; 15(9):684. https://doi.org/10.3390/nano15090684

Chicago/Turabian Style

Guan, Zhou, Chuangshi Feng, Hongquan Song, Lingxu Yang, Xin Wang, Huijun Liu, Jiawei Zhang, Fanqian Wei, Xin Yuan, Hengyong Yang, and et al. 2025. "Oxygen Vacancy in Magnéli Phases and Its Effect on Thermoelectric Performances" Nanomaterials 15, no. 9: 684. https://doi.org/10.3390/nano15090684

APA Style

Guan, Z., Feng, C., Song, H., Yang, L., Wang, X., Liu, H., Zhang, J., Wei, F., Yuan, X., Yang, H., Tang, Y., & Zhang, F. (2025). Oxygen Vacancy in Magnéli Phases and Its Effect on Thermoelectric Performances. Nanomaterials, 15(9), 684. https://doi.org/10.3390/nano15090684

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