# Structure and Defect Identification at Self-Assembled Islands of CO<sub>2</sub> Using Scanning Probe Microscopy

https://mdr.nims.go.jp/datasets/d0e804a7-6be1-497c-9b1f-11fd27cba40e

## File

- [Custance_MDR_StructureAndDefectIdentificationAtSelfAssembledIslandsOfCO2UsingScanningProbeMicroscopy.pdf](https://mdr.nims.go.jp/filesets/2d54207f-4c44-4e4c-b182-5d472edba3e8/download) ([Detail](https://mdr.nims.go.jp/filesets/2d54207f-4c44-4e4c-b182-5d472edba3e8.md))
- [SI.pdf](https://mdr.nims.go.jp/filesets/dca626d8-3b7b-48b9-9877-da41908595fe/download) ([Detail](https://mdr.nims.go.jp/filesets/dca626d8-3b7b-48b9-9877-da41908595fe.md))
- [IslandMovie.mp4](https://mdr.nims.go.jp/filesets/bc2d19ba-6ebd-4659-9b68-dcb7da376707/download) ([Detail](https://mdr.nims.go.jp/filesets/bc2d19ba-6ebd-4659-9b68-dcb7da376707.md))

## Id

d0e804a7-6be1-497c-9b1f-11fd27cba40e

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2024-10-02T04:24:38.265153Z

## Updated at

2025-09-16T23:30:31.815555Z

## Published at

2025-09-16T23:21:53.276122Z

## Doi

https://doi.org/10.48505/nims.4795

## First published url

https://doi.org/10.1021/acsnano.4c07034

## Date published

2024-10-01

## Recorded date published

2024-10-1

## Resource type

journal_article

## Manuscript type

accepted_manuscript

## Collection



## Title

- title: Structure and Defect Identification at Self-Assembled Islands of CO<sub>2</sub>
    Using Scanning Probe Microscopy
  title_type: original
  lang: en

## Description

- description: Understanding how carbon dioxide (CO2) behaves and interacts with surfaces
    is paramount for the development of sensors and materials to attempt CO2 mitigation
    and catalysis. Here, we combine simultaneous atomic force microscopy (AFM) and
    scanning tunneling microscopy (STM) using CO-functionalized probes with density
    functional theory (DFT)-based simulations to gain fundamental insight into the
    behavior of physisorbed CO2 molecules on a gold(111) surface that also contains
    one-dimensional metal−organic chains formed by 1,4-15 phenylene diisocyanide (PDI)
    bridged by gold (Au) adatoms. We resolve the structure of self-assembled CO2 islands,
    both confined between the PDI−Au chains as well as free-standing on the surface
    and reveal a chiral arrangement of CO2 molecules in a windmill-like structure
    that encloses a standing-up CO2 molecule and other foreign species existing at
    the surface. We identify these species by the comparison of height-dependent AFM
    and STM imaging with DFT-calculated images and clarify the origin of the kagome
    tiling exhibited by this surface system. Our results show the complementarity
    of AFM and STM using functionalized probes and their potential, when combined
    with DFT, to explore greenhouse gas molecules at surface-supported model systems.
  description_type: abstract
  lang: und

## Creator

- name: Oscar Custance
  role: author
  orcid: https://orcid.org/0000-0001-7931-603X
- name: Emiliano Ventura-Macias
  role: author
- name: Oleksandr Stetsovych
  role: author
- name: Carlos Romero-Muñiz
  role: author
  orcid: https://orcid.org/0000-0001-6902-1553
- name: Tomoko K. Shimizu
  role: author
  orcid: https://orcid.org/0000-0002-1301-0406
- name: Pablo Pou
  role: author
  orcid: https://orcid.org/0000-0002-5854-8218
- name: Masayuki Abe
  role: author
  orcid: https://orcid.org/0000-0001-5619-3911
- name: Hironobu Hayashi
  role: author
  orcid: https://orcid.org/0000-0002-7872-3052
- name: Tadakatsu Ohkubo
  role: author
  orcid: https://orcid.org/0000-0003-3548-1951
- name: Shigeki Kawai
  role: author
  orcid: https://orcid.org/0000-0003-2128-0120
- name: Ruben Perez
  role: author
  orcid: https://orcid.org/0000-0001-5896-541X

## Contact agent



## Publisher

organization: American Chemical Society (ACS)

## Managing organization



## Keyword

- subject: CO2 islands
  schema: not_defined
- subject: 1,4-phenylene diisocyanide
  schema: not_defined
- subject: chirality
  schema: not_defined
- subject: metal organic chains
  schema: not_defined
- subject: atomic force microscopy
  schema: not_defined
- subject: scanning tunneling microscopy
  schema: not_defined
- subject: density functional theory
  schema: not_defined

## Rights

- description: This document is the Accepted Manuscript version of a Published Work
    that appeared in final form in ACS Nano, copyright © 2024 American Chemical Society
    after peer review and technical editing by the publisher. To access the final
    edited and published work see https://doi.org/10.1021/acsnano.4c07034
  identifier: http://rightsstatements.org/vocab/InC/1.0/

## Other identifier(s)



## Data origin

- data_origin_type: other

## Embargo

start_date: 2024-09-17
end_date: 2025-09-17

## Journal

- title: ACS Nano
  issn: '19360851'
  volume: '18'
  issue: '39'
  start_page: 26759
  end_page: 26769

## Conference



## Related item



## Funding

- identifier: 21H01812
  funder_name: Ministry of Education, Culture, Sports, Science and Technology
- identifier: 21K18876
  funder_name: Ministry of Education, Culture, Sports, Science and Technology
- identifier: 24K01350
  funder_name: Ministry of Education, Culture, Sports, Science and Technology
- identifier: 24K21716
  funder_name: Ministry of Education, Culture, Sports, Science and Technology
- identifier: PE16046
  funder_name: Ministry of Education, Culture, Sports, Science and Technology
- identifier: CEX2018-000805-M
  funder_name: Ministerio de Ciencia, Tecnología e Innovación Productiva
- identifier: CEX2023-001316-M
  funder_name: Ministerio de Ciencia, Tecnología e Innovación Productiva
- identifier: PID2020-115864RB-I00
  funder_name: Ministerio de Ciencia, Tecnología e Innovación Productiva
- identifier: RYC2021-031176-I
  funder_name: Ministerio de Ciencia, Tecnología e Innovación Productiva
- identifier: TED2021-132219A-I00
  funder_name: Ministerio de Ciencia, Tecnología e Innovación Productiva
- identifier: AM2100
  funder_name: Ministry of Education, Culture, Sports, Science and Technology
  description: National Institute for Materials Science (NIMS)
- identifier: 19H05789
  funder_name: Ministry of Education, Culture, Sports, Science and Technology
- identifier: 22H00285
  funder_name: Ministry of Education, Culture, Sports, Science and Technology
- identifier: AG2030
  funder_name: Ministry of Education, Culture, Sports, Science and Technology
  description: National Institute for Materials Science (NIMS)

## 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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  size: 8710232
  md5: bd7f36972ac25aad0d06e83a15aad481
- id: bc2d19ba-6ebd-4659-9b68-dcb7da376707
  filename: IslandMovie.mp4
  content_type: video/mp4
  size: 9257126
  md5: b51360806b0889af95d06ae78198b7f5

## Thumbnail

fileset_id: bc2d19ba-6ebd-4659-9b68-dcb7da376707
filename: IslandMovie.mp4