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Lead-Doping Enabled Band Engineering and Phonon Transport Modulation: Key to High-Performance Thermoelectric AgSbTe₂.

Yunchong Han¹, Xin Liu², Xinyu Liu¹

¹College of Chemistry, Beijing Normal University, Beijing, P.R. China.

Angewandte Chemie (International Ed. in English)

|April 2, 2026

Summary

Lead doping enhances silver antimony telluride thermoelectric performance by stabilizing the material and optimizing electronic and phonon transport, achieving a peak ZT of 2.0. This breakthrough offers improved efficiency for mid-temperature thermoelectric devices.

Keywords:

band engineering lattice softening lead doping phonon scattering thermoelectric performance

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Area of Science:

Materials Science
Solid State Physics
Energy Conversion

Background:

Silver antimony telluride (AgSbTe₂) is a promising mid-temperature thermoelectric material.
Instability and limited performance due to binary decomposition and vacancies hinder its practical application.

Purpose of the Study:

To investigate the effect of lead (Pb) doping on the thermoelectric properties of AgSbTe₂.
To optimize both electronic and phonon transport for enhanced thermoelectric performance.

Main Methods:

Synthesis of p-type AgSb_0.96Pb_0.04Te₂.
Characterization of structural, electronic, and thermal transport properties.
Analysis of Pb doping effects on lattice stability, band structure, and phonon scattering.

Main Results:

Achieved a peak figure of merit (ZT) of 2.0 at 623 K for AgSb_0.96Pb_0.04Te₂.
Pb²⁺ doping stabilized the matrix by suppressing Ag₂Te precipitation and enabling multiband transport.
Observed ultralow lattice thermal conductivity (κ_L) of 0.27 W m^-1 K^-1 due to Pb-induced dislocations and lattice softening.

Conclusions:

Lead doping synergistically optimizes electronic and phonon transport in AgSbTe₂.
Bivalent cation doping is a viable strategy for tuning thermoelectric performance through crystal structure, band, and phonon modulation.