# High Thermoelectric Performance in Al- and Sn-Codoped ZnO Nanosheets via Synergistic Band Structure Engineering with Low Thermal Conductivity

https://mdr.nims.go.jp/datasets/e758d993-2b3f-437b-b2fb-04ccde42a58a

## File

- [MDI-ACS Applied Energy Materials-High Thermoelectric Performance in Al- and Sn-Codoped ZnO Nanosheets via Synergistic Band Structure Engineering with Low Thermal Conductivity.pdf](https://mdr.nims.go.jp/filesets/84adf087-adcb-43b6-bba3-b6fe1c73662b/download) ([Detail](https://mdr.nims.go.jp/filesets/84adf087-adcb-43b6-bba3-b6fe1c73662b.md))

## Id

e758d993-2b3f-437b-b2fb-04ccde42a58a

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2025-11-08T17:20:53.976987Z

## Updated at

2025-11-10T03:30:09.620168Z

## Published at

2025-11-10T03:24:32.871379Z

## Doi

https://doi.org/10.48505/nims.5871

## First published url

https://doi.org/10.1021/acsaem.5c00253

## Date published

2025-07-14

## Recorded date published

2025-7-14

## Resource type

journal_article

## Manuscript type

authors_original

## Collection



## Title

- title: High Thermoelectric Performance in Al- and Sn-Codoped ZnO Nanosheets via
    Synergistic Band Structure Engineering with Low Thermal Conductivity
  title_type: original
  lang: en

## Description

- description: Band structure engineering is an effective way to improve the Seebeck
    coefficient without affecting the electrical conductivity. This study Al 3s state
    hybridized with Zn 4s state shifts the Fermi level inside the conduction band
    in Al, Sn codoped ZnO exposing its metallic behavior. Sn impurity creates large
    density of states near Fermi level leading to high Seebeck coefficient. In this
    material, in addition to scattering of low-frequency phonons by interfaces and
    of high-frequency phonons by point defects, scattering of mid-frequency phonons
    by dense dislocations, localized at the grain boundaries, has been an effective
    strategy to reduce the lattice thermal conductivity. Dual doping creates low angle
    grain boundaries composed of dislocation arrays with a misorientation less than
    about 13.5°. These dislocation arrays along with lattice strain significantly
    reduce the thermal conductivity to 6.391 W m-1K-1 at room temperature in Zn0.97Al0.02Sn0.01O.
    All these effects lead to a high figure of merit ZT of 0.61 at 997 K. A single
    leg thermoelement fabricated using Zn0.97Al0.02Sn0.01O shows an open circuit voltage
    of 122 mV with DT at 500K.
  description_type: abstract
  lang: und

## Creator

- name: Althaf RajaMohamed
  role: author
- name: Hyoung-Won Son
  role: author
  orcid: https://orcid.org/0000-0002-2047-644X
  organization: National Institute for Materials Science
- name: Takao Mori
  role: author
  orcid: https://orcid.org/0000-0003-2682-1846
  organization: National Institute for Materials Science
- name: Anuradha M. Ashok
  role: author

## Contact agent



## Publisher

organization: American Chemical Society (ACS)

## Managing organization



## Keyword

- subject: thermoelectric
  schema: not_defined

## Rights

- description: This document is the unedited Author’s version of a Submitted Work
    that was subsequently accepted for publication in ACS Applied Energy Materials,
    copyright © 2025 American Chemical Society] after peer review. To access the final
    edited and published work see https://doi.org/10.1021/acsaem.5c00253.
  identifier: http://rightsstatements.org/vocab/InC/1.0/

## Other identifier(s)



## Data origin

- data_origin_type: other

## Embargo



## Journal

- title: ACS Applied Energy Materials
  issn: '25740962'
  volume: '8'
  issue: '13'
  start_page: 8921
  end_page: 8936

## Conference



## Related item



## Funding

- identifier: JPMJMI19A1
  funder_name: JST-Mirai Program
- identifier: EMR/2016/006430
  funder_name: Science and Engineering Research Board

## 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: 84adf087-adcb-43b6-bba3-b6fe1c73662b
  filename: MDI-ACS Applied Energy Materials-High Thermoelectric Performance in Al-
    and Sn-Codoped ZnO Nanosheets via Synergistic Band Structure Engineering with
    Low Thermal Conductivity.pdf
  content_type: application/pdf
  size: 4026199
  md5: 84df6b16a57d86da77ef5274f859c317

## Thumbnail

fileset_id: 84adf087-adcb-43b6-bba3-b6fe1c73662b
filename: MDI-ACS Applied Energy Materials-High Thermoelectric Performance in Al-
  and Sn-Codoped ZnO Nanosheets via Synergistic Band Structure Engineering with Low
  Thermal Conductivity.pdf