Bi‐Deficiency Leading to High‐Performance in Mg3(Sb,Bi)2‐Based Thermoelectric Materials
Authors:
- 25 April 2023
- journal article
- research article
- Published by Wiley in Advanced Materials
- Vol. 35 (23) , e2209119
Abstract
Mg3(Sb,Bi)2 is a potential nearly‐room temperature thermoelectric compound composed of earth‐abundant elements. However, complex defect tuning and exceptional microstructural control are required. Prior studies have confirmed the detrimental effect of Mg vacancies (VMg) in Mg3(Sb,Bi)2. This study proposes an approach to mitigating the negative scattering effect of VMg by Bi deficiency, synergistically modulating the electrical and thermal transport properties to enhance the thermoelectric performance. Positron annihilation spectrometry and Cs‐corrected scanning transmission electron microscopy analyses indicated that the VMg tends to coalesce due to the introduced Bi vacancies (VBi). The defects created by Bi deficiency effectively weaken the scattering of electrons from the intrinsic VMg and enhance phonon scattering. A peak zT of 1.82 at 773 K and high conversion efficiency of 11.3% at ∆T = 473 K are achieved in the optimized composition of Mg3(Sb,Bi)2 by tuning the defect combination. This work demonstrates a feasible and effective approach to improving the performance of Mg3(Sb,Bi)2 as an emerging thermoelectric material.Keywords
This publication has 58 references indexed in Scilit:
- High-performance bulk thermoelectrics with all-scale hierarchical architecturesNature, 2012
- Convergence of electronic bands for high performance bulk thermoelectricsNature, 2011
- Cooling, Heating, Generating Power, and Recovering Waste Heat with Thermoelectric SystemsScience, 2008
- Complex thermoelectric materialsNature Materials, 2008
- Positron lifetime calculation for the elements of the periodic tableJournal of Physics: Condensed Matter, 2007
- Doping Effects on Thermoelectric Properties of Higher Manganese Silicides (HMSs, MnSi1.74) and Characterization of Thermoelectric Generating Module using p-Type (Al, Ge and Mo)-doped HMSs and n-Type Mg2Si0.4Sn0.6 LegsJapanese Journal of Applied Physics, 2005
- Generalized Gradient Approximation Made SimplePhysical Review Letters, 1996
- Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis setPhysical Review B, 1996
- Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis setComputational Materials Science, 1996
- Projector augmented-wave methodPhysical Review B, 1994