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Inorganics
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Advances of Thermoelectric Materials
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Advances of Thermoelectric Materials

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

Deadline for manuscript submissions: closed (30 November 2023) | Viewed by 10648

Special Issue Editors

Dr. Marco Fronzi

E-Mail Website
Guest Editor
School of Mathematics and Physics, University of Technology Sydney, Sydney P.O. Box 123, Australia
Interests: electronic structure theory: materials for energy conversion; magnetic and optical properties of the matter; chemical–physical properties of surfaces; machine learning: automatic learning processes applied to the condense matter theory and materials discovery
Special Issues, Collections and Topics in MDPI journals
Prof. Dr. Paolo Mele

E-Mail Website
Guest Editor
College of Engineering, Shibaura Institute of Technology, Saitama 337-8570, Japan
Interests: thin films; oxides; superconductors; thermoelectrics; energy materials; heat transfer; vortex matter; sustainability
Special Issues, Collections and Topics in MDPI journals
Dr. Giovanna Latronico

E-Mail Website
Guest Editor
SIT Research Laboratories, Shibaura Institute of Technology, Saitama 337-8570, Japan
Interests: energy materials; oxides; skutterudites; thin films; thermoelectrics
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues, 

Thermoelectric energy conversion represents an excellent 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 appears still long.

The proposed Special Issue in Advances of Thermoelectric Materials is 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, 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 of existing approaches, are of particular interest.

Dr. Marco Fronzi
Prof. Dr. Paolo Mele
Dr. Giovanna Latronico
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 100 words) can be sent to the Editorial Office for announcement on this website.

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-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Inorganics is an international peer-reviewed open access monthly 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 2700 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.

Published Papers (7 papers)

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Research

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10 pages, 3397 KiB  
Article
Effect of Multiple Doping Elements on Polarity Switching of Polycrystalline SnSe Semiconductor
by František Mihok, Gabriela Hricková, Viktor Puchý, Juraj Szabó, Beáta Ballóková, Róbert Džunda and Karel Saksl
Inorganics 2024, 12(4), 103; https://0-doi-org.brum.beds.ac.uk/10.3390/inorganics12040103 - 05 Apr 2024
Viewed by 466
Abstract
Material selection for thermoelectric modules and generators presents a considerable challenge. In commercially available thermoelectric generators, alloys with a high percentage of doping element are used to achieve different semiconductor polarity. This introduces mechanical stresses to the system due to the varying thermal [...] Read more.
Material selection for thermoelectric modules and generators presents a considerable challenge. In commercially available thermoelectric generators, alloys with a high percentage of doping element are used to achieve different semiconductor polarity. This introduces mechanical stresses to the system due to the varying thermal expansion rates. Previous studies have demonstrated that the semiconductor polarity of SnSe alloys can be altered through Sb or Bi doping. This paper outlines a modified, scalable and cost-effective direct synthesis process for SnSe alloys, employing Sb, Bi, Ag, Ni, In and Mg as dopants. Polarity switching in the synthesized materials was observed with Bi doping, occurring in similar regions as observed with monocrystalline Sb. Additionally, In doping led to a significant increase in the Seebeck coefficient. Doping elements exhibited minimal influence on the crystal lattice of the material, with only minor shifts in lattice parameters noted. Crystallography analysis revealed a significant preferred orientation, consistent with the material’s documented propensity to form and align in layers, a characteristic observable even to the naked eye and confirmed through optical and electron microscopy. Furthermore, we have developed and thoroughly calibrated an in-house apparatus for determining the Seebeck coefficient of thermoelectric materials, based on the already published methodology, which describes a method for determining the electrical conductivity of disk- and rod-shaped samples. Full article
(This article belongs to the Special Issue Advances of Thermoelectric Materials)
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12 pages, 2599 KiB  
Article
Large Area Growth of Silver and Gold Telluride Ultrathin Films via Chemical Vapor Tellurization
by Sara Ghomi, Alessio Lamperti, Mario Alia, Carlo Spartaco Casari, Carlo Grazianetti, Alessandro Molle and Christian Martella
Inorganics 2024, 12(1), 33; https://0-doi-org.brum.beds.ac.uk/10.3390/inorganics12010033 - 17 Jan 2024
Cited by 1 | Viewed by 1301
Abstract
Developing a method for the growth of ultrathin metal chalcogenides, potentially targeting the two-dimensional (2D) limit, has a pivotal impact on various nanotechnological device applications. Here, we employed a vapor deposition scheme, based on tellurization, to induce the heterogenous chemical reaction between solid [...] Read more.
Developing a method for the growth of ultrathin metal chalcogenides, potentially targeting the two-dimensional (2D) limit, has a pivotal impact on various nanotechnological device applications. Here, we employed a vapor deposition scheme, based on tellurization, to induce the heterogenous chemical reaction between solid Ag and Au precursors, in the form of ultrathin films, and Te vapors. We characterized the morphological and structural properties of the grown tellurides by using atomic force microscopy, Raman spectroscopy, X-ray photoelectron spectroscopy and X-ray diffraction techniques. The developed tellurization methodology provides a key advancement in the picture of growing ultrathin noble metal tellurides and holds great potential for applications in different technological fields. Full article
(This article belongs to the Special Issue Advances of Thermoelectric Materials)
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11 pages, 455 KiB  
Article
Machine Learning-Based Predictions for Half-Heusler Phases
by Kaja Bilińska and Maciej J. Winiarski
Inorganics 2024, 12(1), 5; https://0-doi-org.brum.beds.ac.uk/10.3390/inorganics12010005 - 22 Dec 2023
Cited by 1 | Viewed by 1324
Abstract
Machine learning models (Support Vector Regression) were applied for predictions of several targets for 18-electron half-Heusler phases: a lattice parameter, a bulk modulus, a band gap, and a lattice thermal conductivity. The training subset, which consisted of 47 stable phases, was studied with [...] Read more.
Machine learning models (Support Vector Regression) were applied for predictions of several targets for 18-electron half-Heusler phases: a lattice parameter, a bulk modulus, a band gap, and a lattice thermal conductivity. The training subset, which consisted of 47 stable phases, was studied with the use of Density Functional Theory calculations with two Exchange-Correlation Functionals employed (GGA, MBJGGA). The predictors for machine learning models were defined among the basic properties of the elements. The most optimal combinations of predictors for each target were proposed and discussed. Root Mean Squared Errors obtained for the best combinations of predictors for the particular targets are as follows: 0.1 Å (lattice parameters), 11–12 GPa (bulk modulus), 0.22 eV (band gaps, GGA and MBJGGA), and 9–9.5 W/mK (lattice thermal conductivity). The final results of the predictions for a large set of 74 semiconducting half-Heusler compounds were disclosed and compared to the available literature and experimental data. The findings presented in this work encourage further studies with the use of combined machine learning and ab initio calculations. Full article
(This article belongs to the Special Issue Advances of Thermoelectric Materials)
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10 pages, 2294 KiB  
Article
Unveiling the Thermoelectric Performances of Zn1−xFexSe Nanoparticles Prepared by the Hydrothermal Method
by Muhammad Isram, Valeria Demontis, Riccardo Magrin Maffei, Najaf Abbas Khan, Alessandro di Bona, Stefania Benedetti, Nasir Amin, Khalid Mahmood and Francesco Rossella
Inorganics 2023, 11(7), 286; https://0-doi-org.brum.beds.ac.uk/10.3390/inorganics11070286 - 02 Jul 2023
Viewed by 1182
Abstract
Fe2+-doped ZnSe nanoparticles, with varying concentrations of Fe2+ dopants, were prepared by the hydrothermal method and investigated using a multi-technique approach exploiting scanning electron microscopy (SEM), X-ray diffraction (XRD), and Raman spectroscopy, as well as measurement of the electrical transport [...] Read more.
Fe2+-doped ZnSe nanoparticles, with varying concentrations of Fe2+ dopants, were prepared by the hydrothermal method and investigated using a multi-technique approach exploiting scanning electron microscopy (SEM), X-ray diffraction (XRD), and Raman spectroscopy, as well as measurement of the electrical transport properties and Seebeck coefficient (S). The doped nanoparticles appeared as variable-sized agglomerates on nanocrystallites upon SEM investigation for any doping level. Combined XRD and Raman analyses revealed the occurrence of a cubic structure in the investigated samples. Electric and thermoelectric (TE) transport investigations showed an increase in TE performance with an increase in Fe atom concentrations, which resulted in an enhancement of the power factors from 13 µWm−1K−2 to 120 µWm−1K−2 at room temperature. The results were also dependent on the operating temperature. The maximum power factor of 9 × 10−3 Wm−1K−2 was achieved at 150 °C for the highest explored doping value. The possible applications of these findings were discussed. Full article
(This article belongs to the Special Issue Advances of Thermoelectric Materials)
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9 pages, 1154 KiB  
Article
Synthesis and Crystal Structure of the Zintl Phases Na2CaCdSb2, Na2SrCdSb2 and Na2EuCdSb2
by Bayram Saparov and Svilen Bobev
Inorganics 2022, 10(12), 265; https://0-doi-org.brum.beds.ac.uk/10.3390/inorganics10120265 - 18 Dec 2022
Cited by 2 | Viewed by 1286
Abstract
This work details the synthesis and the crystal structures of the quaternary Zintl phases Na2CaCdSb2, Na2SrCdSb2 and Na2EuCdSb2. They are isostructural and their noncentrosymmetric structure is with the space group Pmc2 [...] Read more.
This work details the synthesis and the crystal structures of the quaternary Zintl phases Na2CaCdSb2, Na2SrCdSb2 and Na2EuCdSb2. They are isostructural and their noncentrosymmetric structure is with the space group Pmc21 (Pearson code oP12). All structural work is carried out via single-crystal X-ray diffraction methods. The structure features [CdSb2]4– layers of corner-shared CdSb4 tetrahedra, which are stacked along the b-crystallographic axis and are separated by cations. The results from the structure refinements suggest that in addition to full cation ordering, which is typical for this structure, there also exists a possibility for an accommodation of a small degree of cation disorder. Full article
(This article belongs to the Special Issue Advances of Thermoelectric Materials)
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16 pages, 2828 KiB  
Article
Reduction of Hf via Hf/Zr Substitution in Mechanically Alloyed (Hf,Ti)CoSb Half-Heusler Solid Solutions
by Ioanna Ioannou, Andreas Delimitis, Yaniv Gelbstein and Theodora Kyratsi
Inorganics 2022, 10(4), 51; https://0-doi-org.brum.beds.ac.uk/10.3390/inorganics10040051 - 13 Apr 2022
Cited by 4 | Viewed by 1873
Abstract
(Hf,Zr,Ti)Co(Sb,Sn) Solid solutions were prepared by mechanical-alloying followed by hot-press method as an attempt to reduce Hf concentration and therefore the material’s cost without negatively affecting the thermoelectric performance. To this end, two different methods were applied: (a) Hf substitution with its lighter [...] Read more.
(Hf,Zr,Ti)Co(Sb,Sn) Solid solutions were prepared by mechanical-alloying followed by hot-press method as an attempt to reduce Hf concentration and therefore the material’s cost without negatively affecting the thermoelectric performance. To this end, two different methods were applied: (a) Hf substitution with its lighter and cheaper homologue Zr; and (b) fine tuning of carrier concentration by the substitution of Sb with Sn. The isoelectronic substitution of Hf with Zr was investigated in Hf0.6-xZrxTi0.4CoSb0.8Sn0.2 solid solutions and resulted in lower power factors and ZTs. However, the low thermal conductivity of Hf0.4Zr0.2Ti0.4CoSb0.8Sn0.2 contributed in achieving a relatively good ZT~0.67 at 970 K. The effect of charge carrier concentration was investigated by preparing Hf0.4Zr0.2Ti0.4CoSb1-ySny (y = 0.15–0.25) compounds. Hf0.4Zr0.2Ti0.4CoSb0.83Sn0.17 composition prepared by six hours milling reached the highest ZT of 0.77 at 960 K. Full article
(This article belongs to the Special Issue Advances of Thermoelectric Materials)
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Review

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21 pages, 8271 KiB  
Review
Research Progress on Preparation Methods of Skutterudites
by Chengyu Zhao, Minhua Wang and Zhiyuan Liu
Inorganics 2022, 10(8), 106; https://0-doi-org.brum.beds.ac.uk/10.3390/inorganics10080106 - 26 Jul 2022
Cited by 4 | Viewed by 2018
Abstract
Thermoelectric material is a new energy material that can realize the direct conversion of thermal energy and electric energy. It has important and wide applications in the fields of the recycling of industrial waste heat and automobile exhaust, efficient refrigeration of the next [...] Read more.
Thermoelectric material is a new energy material that can realize the direct conversion of thermal energy and electric energy. It has important and wide applications in the fields of the recycling of industrial waste heat and automobile exhaust, efficient refrigeration of the next generation of integrated circuits and full spectrum solar power generation. Skutterudites have attracted much attention because of their excellent electrical trGiovanna Latronicoansport performance in the medium temperature region. In order to obtain skutterudites with excellent properties, it is indispensable to choose an appropriate preparation method. This review summarizes some traditional and advanced preparation methods of skutterudites in recent years. The basic principles of these preparation methods are briefly introduced. Single-phase skutterudites can be successfully obtained by these preparation methods. The study of these preparation methods also provides technical support for the rapid, low-cost and large-scale preparation of high-performance thermoelectric materials. Full article
(This article belongs to the Special Issue Advances of Thermoelectric Materials)
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