# Defect passivation in methylammonium/bromine free inverted perovskite solar cells using charge-modulated molecular bonding

https://mdr.nims.go.jp/datasets/4051e175-caf9-4d80-9db7-99ccdab82c9d

## File

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## Id

4051e175-caf9-4d80-9db7-99ccdab82c9d

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2024-08-20T00:38:59.458244Z

## Updated at

2024-11-28T07:31:27.053957Z

## Published at

2024-11-28T07:31:27.124373Z

## Doi



## First published url

https://doi.org/10.1038/s41467-024-45228-9

## Date published

2024-01-29

## Recorded date published



## Resource type

journal_article

## Manuscript type

vor

## Collection



## Title

- title: Defect passivation in methylammonium/bromine free inverted perovskite solar
    cells using charge-modulated molecular bonding
  title_type: original
  lang: en

## Description

- description: Molecular passivation is a prominent approach for improving the performance
    and operation stability of halide perovskite solar cells (HPSCs). Herein, we reveal
    discernible effects of diammonium molecules with either an aryl or alkyl core
    onto Methylammonium-free perovskites. Piperazine dihydriodide (PZDI), characterized
    by an alkyl core-electron cloud-rich-NH terminal, proves effective in mitigating
    surface and bulk defects and modifying surface chemistry or interfacial energy
    band, ultimately leading to improved carrier extraction. Benefiting from superior
    PZDI passivation, the device achieves an impressive efficiency of 23.17% (area
    ~1 cm2) (low open circuit voltage deficit ~0.327 V) along with superior operational
    stability. We achieve a certified efficiency of ~21.47% (area ~1.024 cm2) for
    inverted HPSC. PZDI strengthens adhesion to the perovskite via -NH2I and Mulliken
    charge distribution. Device analysis corroborates that stronger bonding interaction
    attenuates the defect densities and suppresses ion migration. This work underscores
    the crucial role of bifunctional molecules with stronger surface adsorption in
    defect mitigation, setting the stage for the design of charge-regulated molecular
    passivation to enhance the performance and stability of HPSC.
  description_type: abstract
  lang: und

## Creator

- name: Dhruba B. Khadka
  role: author
  orcid: https://orcid.org/0000-0001-9134-3890
  organization: National Institute for Materials Science
  ror: https://ror.org/026v1ze26
- name: Yasuhiro Shirai
  role: author
  orcid: https://orcid.org/0000-0003-2164-5468
  organization: National Institute for Materials Science
  ror: https://ror.org/026v1ze26
- name: Masatoshi Yanagida
  role: author
  orcid: https://orcid.org/0000-0002-8065-7875
  organization: National Institute for Materials Science
  ror: https://ror.org/026v1ze26
- name: Hitoshi Ota
  role: author
  orcid: https://orcid.org/0000-0002-8339-9592
  organization: National Institute for Materials Science
  ror: https://ror.org/026v1ze26
- name: Andrey Lyalin
  role: author
  orcid: https://orcid.org/0000-0001-6589-0006
  organization: National Institute for Materials Science
  ror: https://ror.org/026v1ze26
- name: Tetsuya Taketsugu
  role: author
- name: Kenjiro Miyano
  role: author
  orcid: https://orcid.org/0000-0002-5869-3087
  organization: National Institute for Materials Science
  ror: https://ror.org/026v1ze26

## Contact agent



## Publisher

organization: Springer Science and Business Media LLC

## Managing organization



## Keyword

- subject: Perovskite Solar Cells
  schema: not_defined
- subject: MA-free
  schema: not_defined
- subject: bifunctional molecule
  schema: not_defined
- subject: piperazine
  schema: not_defined
- subject: surface passivation
  schema: not_defined
- subject: defect
  schema: not_defined
- subject: device stability
  schema: not_defined

## Rights

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

## Other identifier(s)



## Data origin

- data_origin_type: other

## Embargo



## Journal

- title: Nature Communications
  issn: '20411723'
  article_number: '882'

## Conference



## Related item



## Funding

- identifier: JPMJMI21E6
  funder_name: MEXT | Japan Science and Technology Agency
- identifier: JPMJMI21E6
  funder_name: MEXT | Japan Science and Technology Agency
- identifier: JPNP21014
  funder_name: New Energy and Industrial Technology Development Organization

## 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

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  filename: 41467_2024_45228_MOESM1_ESM.pdf
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  md5: db424ea8577aa58855fd68f786601ea8
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  filename: s41467-024-45228-9.pdf
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## Thumbnail

fileset_id: 649831d6-4e86-4d3c-8a3d-521ad987602e
filename: 41467_2024_45228_MOESM1_ESM.pdf