# Defect and dopant complex mediated high power factor in transparent selenium-doped copper iodide thin films

https://mdr.nims.go.jp/datasets/31061436-017f-468c-9d88-aed8d2dc108b

## File

- [MDR-Manuscript_selenium-doped-CuI.docx](https://mdr.nims.go.jp/filesets/5ed39a75-cbf7-4a24-a44e-3a5f76164b4d/download) ([Detail](https://mdr.nims.go.jp/filesets/5ed39a75-cbf7-4a24-a44e-3a5f76164b4d.md))

## Id

31061436-017f-468c-9d88-aed8d2dc108b

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2024-07-28T15:10:59.693987Z

## Updated at

2024-10-08T03:30:41.521093Z

## Published at

2024-10-08T03:30:42.770969Z

## Doi

https://doi.org/10.48505/nims.4810

## First published url

https://doi.org/10.1016/j.mtener.2024.101639

## Date published

2024-06-29

## Recorded date published

2024-8

## Resource type

journal_article

## Manuscript type

authors_original

## Collection



## Title

- title: Defect and dopant complex mediated high power factor in transparent selenium-doped
    copper iodide thin films
  title_type: original
  lang: en

## Description

- description: Copper iodide (CuI) is a promising p-type transparent thermoelectric
    material for near-room temperature energy harvesting. We report a high-power factor
    for selenium (Se)-doped CuI films. Ion beam-sputtered CuI films were doped using
    30 keV 80Se+ implantation with Se concentration varying between 0.50% and 6.50%.
    Hall effect measurements showed a ∼34% increase in electrical conductivity (σ
    ≈ 36.1 Ω-1cm-1) due to a ∼54% increase in carrier density (pH ≈ 5.4 × 1019 cm-3)
    in the -type γ-CuI film implanted with 5.0 × 1014 Se⋅cm-2. A high Seebeck coefficient,
    α ≈ 388.9 μVK-1, and moderate electrical conductivity, σ ≈ 29.1 Ω-1cm-1, yield
    a nearly 85% increase in the power factor, α2σ ≈ 439.7 μWm-1K-2, for a 1.0 × 1015
    Se⋅cm-2 implanted film compared to the unimplanted film (α2σ ≈ 236.4 μWm-1K-2).
    Monte Carlo simulation and ab initio density functional theory calculations revealed
    that the increased displacement per atom values and the {SeI-VCu} defect complex-induced
    shallow acceptor could be attributed to the observed increase in hole density.
    Our results highlight that native defects and defect complexes are beneficial
    for enhancing the power factor in transparent CuI for thermoelectric applications.
  description_type: abstract
  lang: und

## Creator

- name: Peter P. Murmu
  role: author
- name: Martin Markwitz
  role: author
- name: Shen V. Chong
  role: author
- name: Niall Malone
  role: author
- name: Takao Mori
  role: author
  orcid: https://orcid.org/0000-0003-2682-1846
  organization: National Institute for Materials Science
- name: Himanshu Vyas
  role: author
- name: L. John Kennedy
  role: author
- name: Sergey Rubanov
  role: author
- name: Clastinrusselraj Indirathankam Sathish
  role: author
- name: Jiabao Yi
  role: author
- name: John V. Kennedy
  role: author
  orcid: https://orcid.org/0000-0002-9126-4997

## Contact agent



## Publisher

organization: Elsevier BV

## Managing organization



## Keyword

- subject: thermoelectric
  schema: not_defined

## Rights

- identifier: http://rightsstatements.org/vocab/InC/1.0/

## Other identifier(s)



## Data origin

- data_origin_type: other

## Embargo



## Journal

- title: Materials Today Energy
  issn: '24686069'
  volume: '44'
  article_number: '101639'

## Conference



## Related item



## Funding



## 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: 5ed39a75-cbf7-4a24-a44e-3a5f76164b4d
  filename: MDR-Manuscript_selenium-doped-CuI.docx
  content_type: application/vnd.openxmlformats-officedocument.wordprocessingml.document
  size: 2541726
  md5: b6044d884747c8d84f41962d21e8b31c

## Thumbnail

fileset_id: 5ed39a75-cbf7-4a24-a44e-3a5f76164b4d
filename: MDR-Manuscript_selenium-doped-CuI.docx