# Design and Simulation of Thermally Stable Lead-Free BaHfSe₃ Perovskite Solar Cells: Role of Interface Barrier Height and Temperature

https://mdr.nims.go.jp/datasets/f3fbb0e0-9719-40c9-a4ab-aedfe11435ea

## File

- [ENG 2025, 6, 345.pdf](https://mdr.nims.go.jp/filesets/eca7018b-cd94-4e7a-a2a5-4730fa75ef1a/download) ([Detail](https://mdr.nims.go.jp/filesets/eca7018b-cd94-4e7a-a2a5-4730fa75ef1a.md))

## Id

f3fbb0e0-9719-40c9-a4ab-aedfe11435ea

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2025-12-01T23:52:46.679080Z

## Updated at

2025-12-05T03:30:09.964902Z

## Published at

2025-12-05T03:23:28.999690Z

## Doi



## First published url

https://doi.org/10.3390/eng6120345

## Date published

2025-12-01

## Recorded date published



## Resource type

journal_article

## Manuscript type

vor

## Collection



## Title

- title: 'Design and Simulation of Thermally Stable Lead-Free BaHfSe₃ Perovskite Solar
    Cells: Role of Interface Barrier Height and Temperature'
  title_type: original
  lang: en

## Description

- description: "本論文では、SCAPS-1Dシミュレーションを用いて、TCO/TiO₂/BaHfSe₃/Cu₂O/Au 構造を持つ単接合型 BaHfSe₃
    ベースのペロブスカイト太陽電池（PSC）の光起電力性能を系統的に解析した。\r\nデバイスの最適化により、TiO₂ と Cu₂O がそれぞれ適切な電子輸送層（ETL）および正孔輸送層（HTL）材料であることが確認されました。最適化された構造
    ― TCO/TiO₂（50 nm）/BaHfSe₃（500 nm）/Cu₂O（100 nm）/Au ― は、標準条件下で 24.47% の光電変換効率（PCE）を達成しました。シミュレーション結果から、デバイス効率は吸収層の厚さやトラップ密度に影響を受けることが明らかとなった。これらの知見は、BaHfSe₃
    が非鉛系ペロブスカイト光吸収層として有望であることを示す"
  description_type: abstract
  lang: eng

## Creator

- name: Moumita Mahanti
  role: author
  organization: Raja Narendra Lal Khan Women's College
- name: Sutirtha Mukherjee
  role: author
  organization: Physics, R.L.S.Y. College
- name: Naoto Shirahata
  role: author
  orcid: https://orcid.org/0000-0002-1217-7589
  organization: National Institute for Materials Science
  department: Research Center for Materials Nanoarchitectonics (MANA)/Nanomaterials
    Field/Nanoparticle Group
- name: Batu Ghosh
  role: author
  organization: Trivenidevi Bhalotia College

## Contact agent



## Publisher

organization: Multidisciplinary Digital Publishing Institute (MDPI)

## Managing organization



## Keyword

- subject: SCAPS-1D simulations
  schema: not_defined
- subject: Leadfree perovskite
  schema: not_defined
- subject: Perovskite solar cells
  schema: not_defined
- subject: BaHfSe3
  schema: not_defined

## Rights

- identifier: https://creativecommons.org/licenses/by/4.0/

## Other identifier(s)



## Data origin

- data_origin_type: other

## Embargo



## Journal

- title: Eng
  issn: '26734117'
  volume: '6'
  issue: '12'
  start_page: 345
  end_page: 345

## Conference



## Related item



## Funding

- identifier: 24K01462
  funder_name: JSPS
  description: コヒーレント構造の概念を拡張した新しい半導体量子ドット創製とデバイス化への展開
- identifier: 24K21720
  funder_name: JSPS
  description: 近赤外励起アップコンバージョン量子ドットの開発と医療応用
- identifier: HPTF24111
  funder_name: Hosokawa Powder Technology Foundation
  description: 光デバイス素子活性層を構成するナノ粒子の成膜法開発

## 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: eca7018b-cd94-4e7a-a2a5-4730fa75ef1a
  filename: ENG 2025, 6, 345.pdf
  content_type: application/pdf
  size: 3011229
  md5: 0b9b4c50733d82f1a8ec269b76f481dc

## Thumbnail

fileset_id: eca7018b-cd94-4e7a-a2a5-4730fa75ef1a
filename: ENG 2025, 6, 345.pdf