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Thermoelectric Properties of NiCl(3) Monolayer: A First-Principles-Based Transport Study
By employing the first-principles-based transport theory, we investigate the thermoelectric performance based on the structural and electronic properties of NiCl [Formula: see text] monolayer. The NiCl [Formula: see text] monolayer is confirmed to be a stable Dirac spin gapless semiconductor with th...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7152834/ https://www.ncbi.nlm.nih.gov/pubmed/32120980 http://dx.doi.org/10.3390/nano10030411 |
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author | Liu, Jing Chen, Xiaorui Huang, Yuhong Yuan, Hongkuan Chen, Hong |
author_facet | Liu, Jing Chen, Xiaorui Huang, Yuhong Yuan, Hongkuan Chen, Hong |
author_sort | Liu, Jing |
collection | PubMed |
description | By employing the first-principles-based transport theory, we investigate the thermoelectric performance based on the structural and electronic properties of NiCl [Formula: see text] monolayer. The NiCl [Formula: see text] monolayer is confirmed to be a stable Dirac spin gapless semiconductor with the linear energy dispersion having almost massless carrier, high carrier mobility and fully spin-polarization. Further, NiCl [Formula: see text] monolayer processes the optimum power factor of 4.97 mWm [Formula: see text] K [Formula: see text] , the lattice thermal conductivity of 1.89 Wm [Formula: see text] K [Formula: see text] , and the dimensionless figure of merit of 0.44 at room temperature under reasonable carrier concentration, indicating that NiCl [Formula: see text] monolayer may be a potential matrix for promising thermoelectrics. |
format | Online Article Text |
id | pubmed-7152834 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-71528342020-04-20 Thermoelectric Properties of NiCl(3) Monolayer: A First-Principles-Based Transport Study Liu, Jing Chen, Xiaorui Huang, Yuhong Yuan, Hongkuan Chen, Hong Nanomaterials (Basel) Article By employing the first-principles-based transport theory, we investigate the thermoelectric performance based on the structural and electronic properties of NiCl [Formula: see text] monolayer. The NiCl [Formula: see text] monolayer is confirmed to be a stable Dirac spin gapless semiconductor with the linear energy dispersion having almost massless carrier, high carrier mobility and fully spin-polarization. Further, NiCl [Formula: see text] monolayer processes the optimum power factor of 4.97 mWm [Formula: see text] K [Formula: see text] , the lattice thermal conductivity of 1.89 Wm [Formula: see text] K [Formula: see text] , and the dimensionless figure of merit of 0.44 at room temperature under reasonable carrier concentration, indicating that NiCl [Formula: see text] monolayer may be a potential matrix for promising thermoelectrics. MDPI 2020-02-27 /pmc/articles/PMC7152834/ /pubmed/32120980 http://dx.doi.org/10.3390/nano10030411 Text en © 2020 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Article Liu, Jing Chen, Xiaorui Huang, Yuhong Yuan, Hongkuan Chen, Hong Thermoelectric Properties of NiCl(3) Monolayer: A First-Principles-Based Transport Study |
title | Thermoelectric Properties of NiCl(3) Monolayer: A First-Principles-Based Transport Study |
title_full | Thermoelectric Properties of NiCl(3) Monolayer: A First-Principles-Based Transport Study |
title_fullStr | Thermoelectric Properties of NiCl(3) Monolayer: A First-Principles-Based Transport Study |
title_full_unstemmed | Thermoelectric Properties of NiCl(3) Monolayer: A First-Principles-Based Transport Study |
title_short | Thermoelectric Properties of NiCl(3) Monolayer: A First-Principles-Based Transport Study |
title_sort | thermoelectric properties of nicl(3) monolayer: a first-principles-based transport study |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7152834/ https://www.ncbi.nlm.nih.gov/pubmed/32120980 http://dx.doi.org/10.3390/nano10030411 |
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