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Materials Physics in Thermoelectric Materials, Second Edition
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Materials Physics in Thermoelectric Materials, Second Edition

A Special Issue of Materials (ISSN 1996-1944) belonging to the section "Materials Physics".

Deadline for manuscript submissions: 20 November 2026 | Viewed by 972

Editors

Dr. Bao-Tian Wang

E-Mail Website1 Website2
Guest Editor
Institute of High Energy Physics, Chinese Academy of Science (CAS), Beijing 100049, China
Interests: actinides; superconductivity; thermoelectric; first-principles; neutron scattering; topological states
Special Issues, Collections and Topics in MDPI journals
Dr. Zhibin Gao

E-Mail Website1 Website2
Guest Editor
State Key Laboratory for Mechanical Behavior of Materials, State Key Laboratory of Porous Metal Materials, School of Materials Science and Engineering, Xi’an Jiatong University, Xi’an, China
Interests: materials informatics; computational materials science; nanoscale heat transfer

Special Issue Information

Dear Colleagues,

Thermoelectric materials, which could directly convert a temperature gradient into electrical energy, provide a promising solution for sustainable energy harvesting. The development of thermoelectric materials has recently gained tremendous attention in the fields of solid-state physics, chemistry, materials science, and engineering. Many strategies have been implemented to achieve a high-efficiency thermoelectric conversion e.g., doping, defect, intercalation, band engineering, strain, nanostructures, and molecule junctions, which greatly promote further applications of thermoelectrics.

This Second Edition is a continuation of the Special Issue on "Materials Physics in Thermoelectric Materials" that aims to provide a unique international forum for researchers working in thermoelectric materials to report their latest endeavors in advancing this field, including pristine thermoelectric materials, strategies used to improve thermoelectric performance, theoretical understanding of thermoelectrics, physical insights into engineering high-performance thermoelectrics, computational discovery of thermoelectric materials, etc.

Dr. Bao-Tian Wang
Dr. Zhibin Gao
Guest Editors

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 250 words) can be sent to the Editorial Office for assessment.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-anonymized peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Materials is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2600 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • thermoelectrics
  • electronic transport
  • thermal transport
  • thermoelectric transport
  • band engineering
  • Seebeck effect
  • power factor
  • lattice thermal conductivity
  • lattice dynamics

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Published Papers (1 paper)

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Research

13 pages, 16155 KB  
Article
Temperature-Adaptive Carrier Regulation and Enhanced Thermoelectric Performance in n-Type PbTe via Deep-Shallow Co-Doping
by Aihua Song, Peng Zhao, Binhao Wang, Dan Wang, Chen Chen, Tao Shen, Hang Li, Bo Xu and Yongjun Tian
Materials 2026, 19(13), 2832; https://doi.org/10.3390/ma19132832 - 2 Jul 2026
Viewed by 354
Abstract
Optimizing the carrier concentration across the entire operating temperature range is crucial for maximizing the power factor in n-type PbTe. However, conventional shallow donors produce a nearly temperature-invariant electron concentration, leading to an increasingly large deviation from the optimal carrier concentration at elevated [...] Read more.
Optimizing the carrier concentration across the entire operating temperature range is crucial for maximizing the power factor in n-type PbTe. However, conventional shallow donors produce a nearly temperature-invariant electron concentration, leading to an increasingly large deviation from the optimal carrier concentration at elevated temperatures. Herein, we implement a dynamic deep-shallow co-doping strategy by combining iodine (a shallow donor) with gallium (a deep-level donor) in PbTe. The Ga-related deep impurity states thermally ionize at elevated temperatures, providing additional electrons and driving the Hall carrier concentration above ~563 K toward its temperature-dependent optimum. Concurrently, our optimized synthesis preserves a high carrier mobility, which synergistically sustains a remarkable peak power factor of 30 μW·cm−1·K−2 for the optimal composition, Ga0.02Pb0.98Te0.996I0.004. Combined with a strongly suppressed lattice thermal conductivity, this results in a maximum figure of merit (ZT) of 1.41 at 803 K and an average ZT of 1.00 within 400–773 K for Ga0.02Pb0.97Te0.996I0.004—a 25% improvement over the I-only doped baseline. These findings establish deep-shallow co-doping as a robust and broadly applicable carrier-engineering paradigm for thermoelectric optimization. Full article
(This article belongs to the Special Issue Materials Physics in Thermoelectric Materials, Second Edition)
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