# Advancing very high temperature thermoelectric performance of Yb<sub>4</sub>Sb<sub>3</sub> through dual-substitutions: a combined experimental and theoretical study

https://mdr.nims.go.jp/datasets/18c3b12d-3496-49b3-bdb7-d95e154c75a5

## File

- [d3ma00903c.pdf](https://mdr.nims.go.jp/filesets/9edd50d6-4697-4fcf-91f1-3b5c2cc34cfc/download) ([Detail](https://mdr.nims.go.jp/filesets/9edd50d6-4697-4fcf-91f1-3b5c2cc34cfc.md))

## Id

18c3b12d-3496-49b3-bdb7-d95e154c75a5

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2024-03-27T13:52:32.981120Z

## Updated at

2024-07-30T03:30:19.607862Z

## Published at

2024-07-30T03:30:19.686319Z

## Doi



## First published url

https://doi.org/10.1039/d3ma00903c

## Date published

2023-12-21

## Recorded date published

2024-2-5

## Resource type

journal_article

## Manuscript type

vor

## Collection



## Title

- title: 'Advancing very high temperature thermoelectric performance of Yb<sub>4</sub>Sb<sub>3</sub>
    through dual-substitutions: a combined experimental and theoretical study'
  title_type: original
  lang: en

## Description

- description: 'This article investigates the transport properties of a family of
    rare-earth antimonides of typical formula Yb4Sb3. A co-substitution of La on the
    Yb site and Bi on the Sb site was attempted to further improve the thermoelectric
    properties. The solubility limit of the LaxYb4-xSb2.8Bi0.2 solid solution was
    established to be x = 0.3. Subsequent synthesis of x = 0.1; 0.2 and 0.3 compositions
    at a larger scale enabled their transport properties evaluation and comparison
    with Yb4Sb3. The Seebeck coefficient of the substituted compounds was found to
    be similar to the pristine material from 373 K to 1273 K while an increase in
    resistivity was observed. Detailed DFT calculations confirmed that the Seebeck
    coefficient may not be significantly improved by La substitutions and explained
    the p-type conducting behavior at high temperatures of the title compounds. The
    thermal conductivity of La0.2Yb3.8Sb2.8Bi0.2 (x = 0.2) was found to be reduced
    by about 30 % compared to the Yb4Sb3 binary. The figure of merit zT of the parent
    Yb4Sb3 material was determined to be 0.5 at 1273 K. While dual substitutions have
    not permitted a significant improvement on the figure of merit mostly due to a
    resistivity increase, the study provides a stepping stone for further optimization. '
  description_type: abstract
  lang: und

## Creator

- name: Hugo Bouteiller
  role: author
- name: Vincent Pelletier
  role: author
- name: Sylvain Le Tonquesse
  role: author
- name: Bruno Fontaine
  role: author
- name: Takao Mori
  role: author
  orcid: https://orcid.org/0000-0003-2682-1846
  organization: National Institute for Materials Science
- name: Jean-François Halet
  role: author
- name: Régis Gautier
  role: author
- name: David Berthebaud
  role: author
- name: Franck Gascoin
  role: author

## Contact agent



## Publisher

organization: Royal Society of Chemistry (RSC)

## Managing organization



## Keyword

- subject: thermoelectric
  schema: not_defined

## Rights

- identifier: cc-by-3.0

## Other identifier(s)



## Data origin

- data_origin_type: other

## Embargo



## Journal

- title: Materials Advances
  issn: '26335409'
  volume: '5'
  issue: '3'
  start_page: 1217
  end_page: 1225

## Conference



## Related item



## Funding

- identifier: ANR-18-CE05-0037
  funder_name: Agence Nationale de la Recherche
- identifier: JPMJMI19A1
  funder_name: JST-Mirai Program
- identifier: PE21708
  funder_name: Japan Society for the Promotion of Science

## Instrument



## Instrument operator



## Instrument managing organization



## Measurement method



## Specimen



## Chemical composition



## Structure for specimen



## Structural feature for specimen



## Specific property for specimen



## Process for specimen treatment



## Computational method



## Energy level/transition state



## Software



## Custom property



## Fileset

- id: 9edd50d6-4697-4fcf-91f1-3b5c2cc34cfc
  filename: d3ma00903c.pdf
  content_type: application/pdf
  size: 2505414
  md5: f4ac324957730acf1b2e128f83435d92

## Thumbnail

fileset_id: 9edd50d6-4697-4fcf-91f1-3b5c2cc34cfc
filename: d3ma00903c.pdf