Research on Thermoelectric Materials: Waste Heat into Renewable Energy

A special issue of Crystals (ISSN 2073-4352). This special issue belongs to the section "Inorganic Crystalline Materials".

Deadline for manuscript submissions: 20 June 2024 | Viewed by 990

Special Issue Editors

Canadian Light Source, University of Saskatchewan, Saskatoon, SK S7N 2V3, Canada
Interests: thermoelectric materials; high-pressure techniques; maximum entropy method (MEM); infrared absorption and reflectivity techniques; powder X-ray diffraction technique; DFT calculations
Oak Ridge National Laboratory, Materials Science and Technology Division, Oak Ridge, TN, USA
Interests: materials physics; thermoelectric materials; lattice dynamics; thermal transport; electronic and magnetic relaxation phenomena; phase change materials; magnetocaloric; materials for inelastic X-ray scattering optics
Special Issues, Collections and Topics in MDPI journals
Dr. Yu-Chih Tseng
E-Mail Website
Guest Editor
CanmetMATERIALS, Natural Resources Canada, Hamilton, ON, Canada
Interests: thermoelectric; thermoelectric materials; nanomaterials; alloys and compounds; semiconductors

Special Issue Information

Dear Colleagues,

This Special Issue "Research on Thermoelectric Materials: Waste Heat into Renewable Energy" focuses on recent advancements in the study of thermoelectric materials. It covers a wide range of topics related to thermoelectric materials, including theoretical examinations of thermoelectric materials, the development of new materials with enhanced thermoelectric properties, and the use of nanostructured materials to improve efficiency. Some of the key themes discussed in this Special Issue include the optimization of thermoelectric properties, such as electrical conductivity, thermal conductivity, and the Seebeck coefficient. The Special Issue provides a comprehensive overview of the current state of research on thermoelectric materials. It highlights some of the exciting developments in this field, including the development of new materials with enhanced thermoelectric properties, the use of nanostructured materials to improve efficiency, and the optimization of thermoelectric properties. Articles in this Special Issue will be of interest to researchers and engineers working in the field of thermoelectric materials.

Dr. Jianbao Zhao
Dr. Raphaël P. Hermann
Dr. Yu-Chih Tseng
Guest Editors

Manuscript Submission Information

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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.

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Keywords

  • thermoelectric materials 
  • electrical conductivity
  • thermal conductivity
  • Seebeck coefficient 
  • nanostructured materials 
  • efficiency optimization

Published Papers (1 paper)

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Research

12 pages, 1136 KiB  
Article
High-Throughput Exploration of Half-Heusler Phases for Thermoelectric Applications
Crystals 2023, 13(9), 1378; https://doi.org/10.3390/cryst13091378 - 17 Sep 2023
Cited by 1 | Viewed by 806
Abstract
As a result of the high-throughput ab initiocalculations, the set of 34 stable and novel half-Heusler phases was revealed. The electronic structure and the elastic, transport, and thermoelectric properties of these systems were carefully investigated, providing some promising candidates for thermoelectric materials. The [...] Read more.
As a result of the high-throughput ab initiocalculations, the set of 34 stable and novel half-Heusler phases was revealed. The electronic structure and the elastic, transport, and thermoelectric properties of these systems were carefully investigated, providing some promising candidates for thermoelectric materials. The complementary nature of the research is enhanced by the deformation potential theory applied for the relaxation time of carriers (for power factor, PF) and the Slack formula for the lattice thermal conductivity (for figure of merit, ZT). Moreover, two exchange-correlation parametrizations were used (GGA and MBJGGA), and a complete investigation was provided for both p- and n-type carriers. The distribution of the maximum PF and ZT for optimal doping at 300 K in all systems was disclosed. Some chemical trends in electronic and transport properties were discussed. The results suggest TaFeAs, TaFeSb, VFeAs, and TiRuAs as potentially valuable thermoelectric materials. TaFeAs revealed the highest values of both PF and ZT at 300 K (PFp = 1.67 mW/K2m, ZTp = 0.024, PFn = 2.01 mW/K2m, and ZTp = 0.025). The findings presented in this work encourage further studies on the novel phases, TaFeAs in particular. Full article
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