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Crystals
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Thermoelectric Semiconductor Materials and Devices
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Thermoelectric Semiconductor Materials and Devices

A special issue of Crystals (ISSN 2073-4352). This special issue belongs to the section "Materials for Energy Applications".

Deadline for manuscript submissions: closed (30 November 2022) | Viewed by 8604

Special Issue Editors

Dr. Wei Ren

E-Mail Website
Guest Editor
School of Physics & electronics, Hunan University, Changsha 410012, China
Interests: energy materials; semiconductors; thermoelectrics; phonon transport; carrier transport
Dr. Zhilun Lu

E-Mail Website
Guest Editor
School of Engineering and the Built Environment, Edinburgh Napier University, Merchistion Campus, Edinburgh EH10 5DT, UK
Interests: thermoelectrics; electrical conductivity; ferroelectrics; capacitors
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

The special issue “Thermoelectric Semiconductor Materials and Devices” provides a forum for publishing highly impactful papers covering both experimental and theoretical advancements on thermoelectric materials and devices.

Topics include but are not limited to:

  • Synthesis of thermoelectric semiconductors include but are not limited to zero-dimensional nano materials, one-dimensional nanomaterials, two-dimensional nanomaterials, bulk materials, thin films, inorganic materials, organic materials, and composite materials.
  • Characterization of the structure and chemistry of thermoelectric materials.
  • Metallurgical and chemical mechanisms involved in the synthesis and processing of thermoelectric materials.
  • Phonon transport in thermoelectrics.
  • Carrier transport in thermoelectrics.
  • Optimization of thermoelectric transport.
  • Theoretical prediction of potential high-performance thermoelectric materials.
  • Fabrication and measurement of thermoelectric devices include but are not limited to thermoelectric generators, thermoelectric coolers, and thermoelectric sensors.
  • Thermophysical, electrical, and mechanical design of thermoelectric devices.
  •  Flexible and wearable thermoelectric devices.
  • Thermoelectric self-powered autonomous sensor system.
  • Measurement techniques of phonon transport properties, carrier transport properties, ZT values, and thermoelectric devices.

There is no restriction on the length of papers, and contributions are welcome in the form of original research articles, reviews, letters, and communications.

Dr. Wei Ren
Dr. Zhilun Lu
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. Crystals 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 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

  • energy materials
  • semiconductors
  • thermoelectrics
  • phonon transport
  • carrier transport
  • thermoelectric generators
  • thermoelectric coolers
  • device fabrication
  • flexible devices
  • wearable devices

Published Papers (5 papers)

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Research

11 pages, 1553 KiB  
Article
Electronic, Elastic, and Thermoelectric Properties of Half-Heusler Topological Semi-Metal HfIrAs from First-Principles Calculations
by Muyiwa Kehinde Bamgbose, Funmilayo Ayedun, Gbenro Timothy Solola, Abolore Adebayo Musari, Stephane Kenmoe and Gboyega Augustine Adebayo
Crystals 2023, 13(1), 37; https://doi.org/10.3390/cryst13010037 - 26 Dec 2022
Cited by 3 | Viewed by 1860
Abstract
The ab initio method is used to calculate the electronic, elastic, lattice-dynamic, and thermoelectric properties of the semimetal Half-Heusler compound HfIrAs. Density Functional Theory within Generalized Gradient Approximation is used to carry out calculations of lattice parameters, band structure, electronic density of states, [...] Read more.
The ab initio method is used to calculate the electronic, elastic, lattice-dynamic, and thermoelectric properties of the semimetal Half-Heusler compound HfIrAs. Density Functional Theory within Generalized Gradient Approximation is used to carry out calculations of lattice parameters, band structure, electronic density of states, phonon band structure, phonon density of states, elastic moduli, specific heat at constant volume, the Seebeck coefficient, electrical conductivity, the power factor, and the dimensionless figure of merit. The electronic band structure reveals that the compound is semimetal. The phonon dispersion shows that HfIrAs is dynamically stable. The projected phonon density of states, which shows the contribution of each constituent atom at every frequency level, is also reported. The ratio of bulk modulus to shear modulus is 2.89; i.e., the material is ductile, and it satisfies stability criteria. The thermoelectric properties of this compound at different temperatures of 300 K, 600 K, and 800 K are reported as a function of hole concentration for the first time to the best of our knowledge. The dimensionless figure of merit of HfIrAs is 0.57 at 800 K when the doping concentration is 0.01×1020 cm−3. Therefore, this compound is predicted to be a good thermoelectric material. Full article
(This article belongs to the Special Issue Thermoelectric Semiconductor Materials and Devices)
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10 pages, 910 KiB  
Article
First-Principles Calculations of the Phonon, Mechanical and Thermoelectric Properties of Half-Heusler Alloy VIrSi Alloys
by Paul O. Adebambo, Bamidele I. Adetunji, Oghenekevwe T. Uto, Stephane Kenmoe and Gboyega A. Adebayo
Crystals 2022, 12(12), 1838; https://doi.org/10.3390/cryst12121838 - 16 Dec 2022
Cited by 4 | Viewed by 1548
Abstract
The density functional theory was used to explore the structural, electronic, dynamical, and thermoelectric properties of a VIrSi half-Heulser (HH) alloy. The minimum lattice constant of 5.69 (Å) was obtained for VIrSi alloy. The band structure and the projected density of [...] Read more.
The density functional theory was used to explore the structural, electronic, dynamical, and thermoelectric properties of a VIrSi half-Heulser (HH) alloy. The minimum lattice constant of 5.69 (Å) was obtained for VIrSi alloy. The band structure and the projected density of states for this HH alloy were calculated, and the gap between the valence and conduction bands was noted to be 0.2 eV. In addition, the quasi-harmonic approximation was used to predict the dynamical stability of the VIrSi HH alloy. At 300 K, the Seebeck coefficient of 370 and −270 μV.K−1, respectively, was achieved for the p and n-type doping. From the power factor result, the highest peak of 18 × 1011 W/cm.K2 is obtained in the n-type doping. The Figure of Merit (ZT) result revealed that VIrSi alloy possesses a high ZT at room temperature, which would make VIrSi alloy applicable for thermoelectric performance. Full article
(This article belongs to the Special Issue Thermoelectric Semiconductor Materials and Devices)
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11 pages, 3267 KiB  
Article
Effects of Processing Strategies and La + Sm Co-Doping on the Thermoelectric Performance of A-Site-Deficient SrTiO3-δ Ceramics
by Adindu C. Iyasara, Zhilun Lu, Whitney L. Schmidt, Derek C. Sinclair and Ian M. Reaney
Crystals 2022, 12(11), 1622; https://doi.org/10.3390/cryst12111622 - 12 Nov 2022
Cited by 1 | Viewed by 1143
Abstract
The effect of calcining in either air (VSTO-A) or 5% H2/N2 (VSTO-H) on the thermoelectric performance of La and Sm co-doped A-site-deficient Sr1-3x/2Lax/2Smx/2TiO3-δ ceramics is reported. All calcined powders were sintered 6 h [...] Read more.
The effect of calcining in either air (VSTO-A) or 5% H2/N2 (VSTO-H) on the thermoelectric performance of La and Sm co-doped A-site-deficient Sr1-3x/2Lax/2Smx/2TiO3-δ ceramics is reported. All calcined powders were sintered 6 h in 5% H2/N2 at 1773 K to ≥96% relative density. All peaks in X-ray diffraction patterns indexed as a cubic perovskite phase. Scanning electron microscopy revealed grain sizes ~14 and ~10 μm for VSTO-A and VSTO-H ceramics, respectively. x = 0.30 showed the lowest k (2.99 W/m.K at 973 K) for VSTO-A, whereas x = 0.20 had the lowest (2.67 W/m.K at 973 K) for the VSTO-H ceramics. x = 0.30 VSTO-A showed a thermoelectric figure of merit, ZT = 0.25 (at 973 K), whereas the maximum ZT = 0.30 (at 973 K) was achieved for x = 0.20 VSTO-H ceramics, demonstrating that thermoelectric properties are optimized when all processing is carried out in 5% H2/N2. Full article
(This article belongs to the Special Issue Thermoelectric Semiconductor Materials and Devices)
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9 pages, 2318 KiB  
Article
Band Alignments of GeS and GeSe Materials
by Miłosz Grodzicki, Agata K. Tołłoczko, Dominika Majchrzak, Detlef Hommel and Robert Kudrawiec
Crystals 2022, 12(10), 1492; https://doi.org/10.3390/cryst12101492 - 20 Oct 2022
Cited by 3 | Viewed by 1920
Abstract
Here we present new findings of a comprehensive study of the fundamental physicochemical properties for GeS and GeSe in bulk form. UV and X-ray photoelectron spectroscopies (UPS/XPS) were employed for the experiments, which were carried out on in situ cleaned (100) surfaces free [...] Read more.
Here we present new findings of a comprehensive study of the fundamental physicochemical properties for GeS and GeSe in bulk form. UV and X-ray photoelectron spectroscopies (UPS/XPS) were employed for the experiments, which were carried out on in situ cleaned (100) surfaces free from contamination. This allowed to obtain reliable results, also unchanged by effects related to charging of the samples. The work functions, electron affinities and ionization energies as well as core level lines were found. The band gaps of the investigated materials were determined by photoreflectance and optical absorption methods. As a result, band energy diagrams relative to the vacuum level for GeS and GeSe were constructed. The diagrams provide information about the valence and conduction band offsets, crucial for the design of various electronic devices and semiconducting heterostructures. Full article
(This article belongs to the Special Issue Thermoelectric Semiconductor Materials and Devices)
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10 pages, 1458 KiB  
Article
Relation between Electronic Structure and Thermoelectric Properties of Heusler-Type Ru2VAl Compounds
by Hidetoshi Miyazaki, Shin-ichi Kimura, Kensuke Onishi, Takehiko Hihara, Masato Yoshimura, Hirofumi Ishii, Masashi Mikami and Yoichi Nishino
Crystals 2022, 12(10), 1403; https://doi.org/10.3390/cryst12101403 - 04 Oct 2022
Cited by 4 | Viewed by 1512
Abstract
We investigated Heusler-type Ru2VAl, a candidate material for next-generation thermoelectric conversion, by first-principle calculations of its thermoelectric conversion properties and direct experimental observations of its electronic structures, employing photoemission and infrared spectroscopy. Our results show that Ru2VAl has a [...] Read more.
We investigated Heusler-type Ru2VAl, a candidate material for next-generation thermoelectric conversion, by first-principle calculations of its thermoelectric conversion properties and direct experimental observations of its electronic structures, employing photoemission and infrared spectroscopy. Our results show that Ru2VAl has a wider pseudogap near the Fermi level compared to Fe2VAl. Accordingly, a higher thermoelectric conversion performance can be expected in Ru2VAl at higher temperatures. Full article
(This article belongs to the Special Issue Thermoelectric Semiconductor Materials and Devices)
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