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Molecules
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Study of Thermoelectric Materials and Devices
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Study of Thermoelectric Materials and Devices

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Materials Chemistry".

Deadline for manuscript submissions: closed (31 December 2021) | Viewed by 3135

Special Issue Editor

Dr. Guoying Gao

E-Mail Website
Guest Editor
School of Physics and Wuhan National High Magnetic Field Center, Huazhong University of Science and Technology, Wuhan 430074, China
Interests: high-spin-polarized materials (half-metallic magnets and spin gapless semiconductors); thermoelectric materials; spintronic devices and spin caloritronic devices

Special Issue Information

Dear Colleagues,

Thermoelectric materials, which can convert heat into electricity, have become more and more attractive in the fields of sustainable energy and environmental issues. High thermoelectric conversion efficiency requires a high thermoelectric figure of merit. Some strategies have been used to achieve a high thermoelectric figure of merit, e.g. doping, defect, intercalation, band engineering, strain, nanostructures, and molecule junctions, etc. This Special Issue aims to highlight the recent advances in this field, including new pristine thermoelectric materials, strategies used to decrease the thermal conductivity and increase the power factor, thermoelectric devices, and so on.

Dr. Guoying Gao
Guest Editor

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. Molecules 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 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.

Keywords

  • Thermoelectric materials
  • Seebeck effect
  • Power factor
  • Thermal conductivity
  • Phonon
  • Band engineering
  • Molecule thermoelectricity
  • Organic thermoelectricity
  • Thermoelectric devices
  • Thermoelectric transport

Published Papers (1 paper)

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Research

9 pages, 2364 KiB  
Article
Excellent Room-Temperature Thermoelectricity of 2D GeP3: Mexican-Hat-Shaped Band Dispersion and Ultralow Lattice Thermal Conductivity
by Cong Wang, Zhiyuan Xu, Ke Xu and Guoying Gao
Molecules 2021, 26(21), 6376; https://0-doi-org.brum.beds.ac.uk/10.3390/molecules26216376 - 21 Oct 2021
Cited by 1 | Viewed by 2489
Abstract
Although some atomically thin 2D semiconductors have been found to possess good thermoelectric performance due to the quantum confinement effect, most of their behaviors occur at a higher temperature. Searching for promising thermoelectric materials at room temperature is meaningful and challenging. Inspired by [...] Read more.
Although some atomically thin 2D semiconductors have been found to possess good thermoelectric performance due to the quantum confinement effect, most of their behaviors occur at a higher temperature. Searching for promising thermoelectric materials at room temperature is meaningful and challenging. Inspired by the finding of moderate band gap and high carrier mobility in monolayer GeP3, we investigated the thermoelectric properties by using semi-classical Boltzmann transport theory and first-principles calculations. The results show that the room-temperature lattice thermal conductivity of monolayer GeP3 is only 0.43 Wm−1K−1 because of the low group velocity and the strong anharmonic phonon scattering resulting from the disordered phonon vibrations with out-of-plane and in-plane directions. Simultaneously, the Mexican-hat-shaped dispersion and the orbital degeneracy of the valence bands result in a large p-type power factor. Combining this superior power factor with the ultralow lattice thermal conductivity, a high p-type thermoelectric figure of merit of 3.33 is achieved with a moderate carrier concentration at 300 K. The present work highlights the potential applications of 2D GeP3 as an excellent room-temperature thermoelectric material. Full article
(This article belongs to the Special Issue Study of Thermoelectric Materials and Devices)
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