# A Rutile-Based Homologous Series Na(PtO<sub>2</sub>)<sub>2<i>n</i>+1</sub> Discovered by Computationally Assisted High-Pressure Synthesis

https://mdr.nims.go.jp/datasets/241dd91a-aacc-4b3e-9486-6853b728c945

## File

- [2508.15223v1.pdf](https://mdr.nims.go.jp/filesets/e74d7ef2-95eb-4ce7-a189-9aa3c6437494/download) ([Detail](https://mdr.nims.go.jp/filesets/e74d7ef2-95eb-4ce7-a189-9aa3c6437494.md))

## Id

241dd91a-aacc-4b3e-9486-6853b728c945

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2025-08-25T22:21:28.582046Z

## Updated at

2025-08-26T00:52:09.583389Z

## Published at

2026-08-08T23:25:25.161540Z

## Doi

https://doi.org/10.48505/nims.5673

## First published url

https://doi.org/10.1021/acs.inorgchem.5c02074

## Date published

2025-08-25

## Recorded date published

2025-8-25

## Resource type

journal_article

## Manuscript type

accepted_manuscript

## Collection



## Title

- title: A Rutile-Based Homologous Series Na(PtO<sub>2</sub>)<sub>2<i>n</i>+1</sub>
    Discovered by Computationally Assisted High-Pressure Synthesis
  title_type: original
  lang: en

## Description

- description: 高温超伝導や電池、触媒への応用で注目される層状遷移金属酸化物（特にラドレッスデン・ポッパー相）に対し、白金酸化物は高い化学的不活性のため層状多形の探索が進んでいなかった。本研究では、高酸化環境かつ高圧合成と密度汎関数理論（DFT）計算を組み合わせ、新たな層状三元酸化物系列
    Na(PtO2)2n+1 を発見した。この系列は、PtO6八面体とPtO4四配位平面からなる独自構造を持ち、構造次元性の制御が可能となる。さらに、計算支援による異性体・仮想構成の予測と、それに基づく合成・散乱解析により、シリーズ全体の網羅的な探索が実現した。これは多様な構造をもつ準安定酸化物の開拓に有効なアプローチとなる。
  description_type: abstract
  lang: und

## Creator

- name: Yasuhito Kobayashi
  role: author
  orcid: https://orcid.org/0009-0004-4957-9081
- name: Hidefumi Takahashi
  role: author
- name: Shunsuke Kitou
  role: author
  orcid: https://orcid.org/0000-0002-2349-140X
- name: Akitoshi Nakano
  role: author
  orcid: https://orcid.org/0000-0001-9780-5179
- name: Hajime Sagayama
  role: author
- name: Yuichi Yamasaki
  role: author
  orcid: https://orcid.org/0000-0002-8560-3462
- name: Shintaro Ishiwata
  role: author
  orcid: https://orcid.org/0000-0003-1696-2514

## Contact agent



## Publisher

organization: American Chemical Society (ACS)

## Managing organization



## Keyword

- subject: X線回折
  schema: not_defined
- subject: 結晶構造解析
  schema: not_defined
- subject: 第一原理計算
  schema: not_defined

## Rights

- description: This document is the Accepted Manuscript version of a Published Work
    that appeared in final form in Inorganic Chemistry, copyright ©  2025 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/acs.inorgchem.5c02074.
  identifier: http://rightsstatements.org/vocab/InC/1.0/

## Other identifier(s)



## Data origin

- data_origin_type: other

## Embargo

start_date: 2025-08-09
end_date: 2026-08-09

## Journal

- title: Inorganic Chemistry
  issn: '00201669'
  volume: '64'
  issue: '33'
  start_page: 16711
  end_page: 16720

## Conference



## Related item



## Funding

- identifier: JPMJFR236K
  funder_name: Ministry of Education, Culture, Sports, Science and Technology
- identifier: JPMJCR2435
  funder_name: Ministry of Education, Culture, Sports, Science and Technology
- identifier: 22H00343
  funder_name: Ministry of Education, Culture, Sports, Science and Technology
- identifier: 23H04871
  funder_name: Ministry of Education, Culture, Sports, Science and Technology
- identifier: 24H01644
  funder_name: Ministry of Education, Culture, Sports, Science and Technology
- identifier: 24K00570
  funder_name: Ministry of Education, Culture, Sports, Science and Technology
- identifier: 24K17006
  funder_name: Ministry of Education, Culture, Sports, Science and Technology
- identifier: 24KJ1654
  funder_name: Ministry of Education, Culture, Sports, Science and Technology
- identifier: 25H00420
  funder_name: Ministry of Education, Culture, Sports, Science and Technology
- identifier: 25H01248
  funder_name: Ministry of Education, Culture, Sports, Science and Technology

## 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: e74d7ef2-95eb-4ce7-a189-9aa3c6437494
  filename: 2508.15223v1.pdf
  content_type: application/pdf
  size: 22184346
  md5: 4841f8242e1852766e51cb9ac8a50248

## Thumbnail

fileset_id: e74d7ef2-95eb-4ce7-a189-9aa3c6437494
filename: 2508.15223v1.pdf