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Bi-Deficiency Leading to High-Performance in Mg₃ (Sb,Bi)₂ -Based Thermoelectric Materials.

Jing-Wei Li¹, Weishu Liu², Wei Xu³

¹State Key Laboratory of New Ceramics and Fine Processing, School of Materials Science and Engineering, Tsinghua University, Beijing, 100084, China.

Advanced Materials (Deerfield Beach, Fla.)

|March 17, 2023

Summary

This study enhances Mg3(Sb,Bi)2 thermoelectric performance by introducing bismuth vacancies (VBi) to mitigate detrimental magnesium vacancies (VMg). This defect tuning optimizes electrical and thermal transport for improved energy conversion efficiency.

Keywords:

Mg3(Sb,Bi)2 defect engineering lattice thermal conductivity thermoelectric materials

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Area of Science:

Materials Science
Solid State Physics
Energy Conversion

Background:

Mg3(Sb,Bi)2 is a promising thermoelectric material using earth-abundant elements for near-room temperature applications.
Effective thermoelectric performance requires precise control over complex defects and microstructure.
Magnesium vacancies (VMg) in Mg3(Sb,Bi)2 have been shown to negatively impact thermoelectric properties.

Purpose of the Study:

To mitigate the detrimental electron scattering effect of Mg vacancies (VMg).
To synergistically modulate electrical and thermal transport properties through Bi deficiency.
To enhance the overall thermoelectric performance of Mg3(Sb,Bi)2.

Main Methods:

Introduced bismuth vacancies (VBi) into the Mg3(Sb,Bi)2 structure.
Utilized positron annihilation spectrometry to analyze defect behavior.
Employed Cs-corrected scanning transmission electron microscopy for microstructural investigation.

Main Results:

Bi deficiency induced VMg coalescence, weakening electron scattering from intrinsic VMg.
Enhanced phonon scattering was observed due to the introduced defects.
Achieved a peak thermoelectric figure of merit (zT) of 1.82 at 773 K and 11.3% conversion efficiency.

Conclusions:

Tuning the defect combination, specifically by introducing Bi deficiency, is an effective strategy.
This approach successfully mitigates negative scattering effects and enhances thermoelectric performance.
Demonstrates a feasible method for improving Mg3(Sb,Bi)2 as an emerging thermoelectric material.