Advances in Thermoelectric Materials, 2nd Edition

A special issue of Inorganics (ISSN 2304-6740). This special issue belongs to the section "Inorganic Materials".

Deadline for manuscript submissions: 31 October 2025 | Viewed by 2168

Special Issue Editors


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Guest Editor
School of Physics, The University of Sydney, Sydney, NSW 2050, Australia
Interests: electronic structure theory: materials for energy conversion; magnetic and optical properties of matter; chemical–physical properties of surfaces; machine learning: automatic learning processes applied to condensed matter theory and materials discovery
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Dear Colleagues,

Thermoelectric energy conversion represents an excellent and viable way to reduce greenhouse gas emissions and provide energy security to an increasing global population. However, although significant improvements in the performance of thermoelectric materials have been recently achieved, the path for practical applications of thermoelectric devices still appears long.

Given the success of the first edition of this Special Issue, a second volume has been launched, aiming to publish a set of papers that will help discover novel thermoelectric materials and provide a deeper understanding of the properties of existing ones through the application of theoretical and experimental methods. In particular, the correlation between material structure and thermoelectric properties, thermal transport, and thermal conductivity is noteworthy.

The materials framework may include, but is not limited to, ceramics, oxides and chalcogenides, alloys and intermetallic structures, 2D structures, and nanoalloys that combine inorganic and organic components. Papers that report the application of well-consolidated approaches for materials discovery, and papers that report the development of new methods or the enhancement in existing approaches, are of particular interest.

Dr. Marco Fronzi
Prof. Dr. Paolo Mele
Guest Editors

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Keywords

  • thermoelectric materials energy conversion
  • greenhouse gas reduction
  • thermal transport
  • thermal conductivity
  • two-dimensional materials and nanoalloys
  • machine learning
  • theoretical and experimental methods

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Related Special Issue

Published Papers (4 papers)

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Research

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10 pages, 7542 KB  
Article
Thermoelectric Figure of Merit in a One-Dimensional Model with k4-Dispersion: An Extension of the Theory by Hicks and Dresselhaus
by Hiroyasu Matsuura and Masao Ogata
Inorganics 2025, 13(9), 310; https://doi.org/10.3390/inorganics13090310 - 22 Sep 2025
Viewed by 305
Abstract
Motivated by the strategy developed by Hicks and Dresselhaus in a quantum wire corresponding to a single-chain model with k2-dispersion, we study a one-dimensional double-chain model with two carriers of electrons and holes, characterized by k4-dispersion. To understand the [...] Read more.
Motivated by the strategy developed by Hicks and Dresselhaus in a quantum wire corresponding to a single-chain model with k2-dispersion, we study a one-dimensional double-chain model with two carriers of electrons and holes, characterized by k4-dispersion. To understand the role of the enhancement of the density of state derived from k4-dispersion, we calculate an optimized dimensionless thermoelectric figure of merit (ZT) depending on the side length of the cross section, a, in the same way as discussed by Hicks and Dresselhaus. We find that ZT enhances as a decreases similarly to the results obtained in the single-chain model, while the enhancement of ZT is smaller than that of single-chain model. We discuss the reason in connection with the difference of electronic state between the single- and double-chain models. Full article
(This article belongs to the Special Issue Advances in Thermoelectric Materials, 2nd Edition)
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19 pages, 2810 KB  
Article
Bismuth-Doped Indium Oxide as a Promising Thermoelectric Material
by Haitao Zhang, Bo Feng, Tongqiang Xiong, Wenzheng Li, Tong Tang, Ruolin Ruan, Peng Jin, Guopeng Zhou, Yang Zhang, Kewei Wang, Yin Zhong, Yonghong Chen and Xiaoqiong Zuo
Inorganics 2025, 13(9), 277; https://doi.org/10.3390/inorganics13090277 - 22 Aug 2025
Viewed by 513
Abstract
Bismuth (Bi)-doped indium oxide (In2O3) has emerged as a promising thermoelectric material due to its tunable electrical and thermal properties. This study investigates the effects of Bi-doping on the thermoelectric performance of In2O3, focusing on [...] Read more.
Bismuth (Bi)-doped indium oxide (In2O3) has emerged as a promising thermoelectric material due to its tunable electrical and thermal properties. This study investigates the effects of Bi-doping on the thermoelectric performance of In2O3, focusing on its electrical conductivity, band structure, carrier concentration, mobility, Seebeck coefficient, power factor, thermal conductivity, and overall thermoelectric figure of merit (ZT). The incorporation of Bi into the In2O3 lattice significantly enhances the material’s electrical conductivity, attributed to the increased carrier concentration resulting from Bi acting as an effective dopant. However, this doping also leads to a broadening of the bandgap, which influences the electronic transport properties. The Seebeck coefficient (absolute value) is observed to decrease with Bi-doping, a consequence of the elevated carrier concentration. Despite this reduction, the overall power factor improves due to the substantial increase in electrical conductivity. Furthermore, Bi-doping effectively reduces both the total thermal conductivity and the lattice thermal conductivity of In2O3. This reduction is primarily due to enhanced phonon scattering caused by the introduction of Bi atoms, which disrupt the lattice periodicity and introduce point defects. The combined improvement in electrical conductivity and reduction in thermal conductivity results in a significant enhancement of the thermoelectric figure of merit (ZT) with highest ZT value increased from 0.055 to 0.402 at 973 K. The optimized Bi-doped In2O3 samples demonstrate a ZT value that surpasses that of undoped In2O3, highlighting the potential of Bi-doping for advancing thermoelectric applications. This work provides a comprehensive understanding of the underlying mechanisms governing the thermoelectric properties of Bi-doped In2O3 and offers valuable insights into the design of high-performance thermoelectric materials for energy conversion technologies. Full article
(This article belongs to the Special Issue Advances in Thermoelectric Materials, 2nd Edition)
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15 pages, 1831 KB  
Article
Eskebornite CuFeSe2: Solid-State Synthesis and Thermoelectric Properties
by Se-Hyeon Choi and Il-Ho Kim
Inorganics 2025, 13(7), 216; https://doi.org/10.3390/inorganics13070216 - 27 Jun 2025
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Abstract
Eskebornite (CuFeSe2), a member of the I–III–VI2 ternary semiconductor family, was explored in this study as a potential thermoelectric material, offering new insights into its synthesis, structural characteristics, and transport behavior. Structurally analogous to chalcopyrite (CuFeS2)—an extensively studied [...] Read more.
Eskebornite (CuFeSe2), a member of the I–III–VI2 ternary semiconductor family, was explored in this study as a potential thermoelectric material, offering new insights into its synthesis, structural characteristics, and transport behavior. Structurally analogous to chalcopyrite (CuFeS2)—an extensively studied antiferromagnetic semiconductor—eskebornite remains relatively underexplored, particularly regarding its solid-state synthesis and thermoelectric performance. To address this gap, pure eskebornite was synthesized via mechanical alloying followed by hot pressing, a method that enables the fine control of its phase composition and microstructural features. The synthesized undoped CuFeSe2 exhibited p-type nondegenerate semiconducting behavior, with electrical conductivity increasing monotonically over the temperature range of 323–623 K, indicative of thermally activated carrier transport. Simultaneously, a decreasing trend in thermal conductivity with temperature was observed, likely resulting from intensified phonon scattering, which serves to suppress heat transport and enhance the thermoelectric efficiency by maintaining a thermal gradient across the material. A peak in the Seebeck coefficient occurred between 473 and 523 K, suggesting the onset of intrinsic carrier excitation and a transition in dominant carrier transport mechanisms. The material exhibited a maximum power factor of 1.55 μWm−1K−2, while the dimensionless thermoelectric figure of merit (ZT) reached a peak value of 0.37 × 10−3 at 523 K. Although the ZT remains low, these results underscore the potential of eskebornite as a thermoelectric candidate, with substantial room for optimization through chemical doping, microstructural engineering, or nanostructuring approaches to enhance the carrier mobility and reduce the lattice thermal conductivity. Full article
(This article belongs to the Special Issue Advances in Thermoelectric Materials, 2nd Edition)
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Review

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32 pages, 3558 KB  
Review
Thermoelectric Materials for Spintronics: From Physical Principles to Innovative Half Metallic Ferromagnets, Devices, and Future Perspectives
by Alessandro Difalco and Alberto Castellero
Inorganics 2025, 13(10), 332; https://doi.org/10.3390/inorganics13100332 - 2 Oct 2025
Viewed by 485
Abstract
Over the last century, improvements in computational power resulting from the exponential growth of microelectronics have been the driving force of outstanding global economic growth as well as of deep changes in society and ethical values. Manufacturing of silicon-based memory cells has, as [...] Read more.
Over the last century, improvements in computational power resulting from the exponential growth of microelectronics have been the driving force of outstanding global economic growth as well as of deep changes in society and ethical values. Manufacturing of silicon-based memory cells has, as a matter of fact, become an industry of strategic importance also from a geopolitical perspective. Despite such advancements, a lot of concern has recently aroused as physical limitations such as tunnel-effect phenomena, current leakage, and high power consumption are increasingly hindering further improvements in dynamic random-access memory. Spintronic technologies are promising alternatives to overcome such issues, being considered no longer merely an academic subject of interest, but increasingly becoming an industrial reality. In this review work, the history and the physical principles of spintronic devices are presented, focussing on new, groundbreaking materials. Concepts are exposed step by step and in an easy-to-understand manner, allowing even researchers who are not specialized in the fields of spintronics, microelectronics, and hardware engineering to understand the fundamentals and gain initial insight into the topic. Special attention is paid to half-metallic ferromagnets and Heusler alloys, which are considered among the most promising materials for the future of spintronics. Full article
(This article belongs to the Special Issue Advances in Thermoelectric Materials, 2nd Edition)
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