# Half-Calcium Substitution of the CaB₆ Surface with Hydrogen: Synthesis, Structural Characterization, and Electronic Structure

https://mdr.nims.go.jp/datasets/325628b2-516c-46ad-9ef5-88dfa467b4a8

## File

- [RevisedManuscript.docx](https://mdr.nims.go.jp/filesets/610af135-f83c-4560-81ec-1615a0810abe/download) ([Detail](https://mdr.nims.go.jp/filesets/610af135-f83c-4560-81ec-1615a0810abe.md))
- [RevisedSupporting_information.docx](https://mdr.nims.go.jp/filesets/458b1898-eda3-4a0a-aa13-9d110fbc13e8/download) ([Detail](https://mdr.nims.go.jp/filesets/458b1898-eda3-4a0a-aa13-9d110fbc13e8.md))

## Id

325628b2-516c-46ad-9ef5-88dfa467b4a8

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2025-11-25T02:41:05.213923Z

## Updated at

2025-12-15T04:49:38.094409Z

## Published at

2025-12-18T10:08:27.564082Z

## Doi

https://doi.org/10.48505/nims.6012

## First published url

https://doi.org/10.1002/sstr.202500389

## Date published

2025-09-12

## Recorded date published

2025-11

## Resource type

journal_article

## Manuscript type

accepted_manuscript

## Collection



## Title

- title: 'Half-Calcium Substitution of the CaB₆ Surface with Hydrogen: Synthesis,
    Structural Characterization, and Electronic Structure'
  title_type: original
  lang: en

## Description

- description: 過去に論文報告したホウ化水素は二次元の化合物であったが、この研究では３次元の構造体になります。以前はMgB2をイオン置換して、HBとしていたものと、CaB6のイオン交換と構造解析をしている仕事です。バルクではイオン交換が進まず、表面のみであるが特異な構造が得られた。
  description_type: abstract
  lang: eng

## Creator

- name: Hikari Yoshioka
  role: author
  organization: Institute of Pure and Applied Sciences University of Tsukuba
- name: Mitsuhiro Saito
  role: author
  organization: Institute of Engineering Innovation, School of Engineering The University
    of Tokyo
- name: Satoshi Tominaka
  role: author
  orcid: https://orcid.org/0000-0001-6474-8665
  organization: National Institute for Materials Science
  department: Center for Basic Research on Materials/Advanced Materials Characterization
    Field/Quantum Beam Diffraction Group
- name: Susumu Okada
  role: author
  organization: Institute of Pure and Applied Sciences University of Tsukuba
- name: Mina Maruyama
  role: author
  organization: Institute of Pure and Applied Sciences University of Tsukuba
- name: Yanlin Gao
  role: author
  organization: Institute of Pure and Applied Sciences University of Tsukuba
- name: Ben Slater
  role: author
  organization: Dept of Chemistry University College London
- name: Shin-ichi Ito
  role: author
  organization: Institute of Pure and Applied Sciences University of Tsukuba
- name: Miwa Hikichi
  role: author
  organization: Institute of Pure and Applied Sciences University of Tsukuba
- name: Ryuki Tsuji
  role: author
  organization: Institute of Pure and Applied Sciences University of Tsukuba
- name: Osamu Oki
  role: author
  organization: Institute of Pure and Applied Sciences University of Tsukuba
- name: Yuichi Ikuhara
  role: author
  organization: Institute of Engineering Innovation, School of Engineering The University
    of Tokyo
- name: Shin-ichi Orimo
  role: author
  organization: Advanced Institute for Materials Research (AIMR) Tohoku University
- name: Hideo Hosono
  role: author
  orcid: https://orcid.org/0000-0001-9260-6728
  organization: National Institute for Materials Science
  department: Research Center for Materials Nanoarchitectonics (MANA)/Nanomaterials
    Field/ElectroActive Materials Team
- name: Takahiro Kondo
  role: author
  organization: Institute of Pure and Applied Sciences University of Tsukuba

## Contact agent



## Publisher

organization: Wiley-VCH GmbH

## Managing organization



## Keyword

- subject: hydrogen boride
  schema: not_defined
- subject: ion exchange
  schema: not_defined
- subject: crystal structure
  schema: not_defined

## Rights

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

## Other identifier(s)



## Data origin

- data_origin_type: other

## Embargo



## Journal

- title: SMALL STRUCTURES
  issn: '26884062'
  volume: '6'
  issue: '11'

## Conference



## Related item



## Funding

- identifier: Grant Nos. JP19H02551, JP19H05046:A01, JP21H00015:B01, JP21H05012, JP21H05232,
    JP21H05233, JP21K14484, JP22H00283, JP22K18964, JP23H05469, JP23H01843, JP23K26536,
    JP24H02204, JP25H00417, and JP25K08414
  funder_name: 'JSPS '
  description: KAKENHI
- identifier: JPMXP0112101001
  funder_name: MEXT Element Strategy Initiative to Form Core Research Center
- identifier: Grant No. JPMJCR21O4, JPMJCR24A2, JPMJCR24A4, and JPMJCR23A4
  funder_name: JST CREST Program Japan

## 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: RevisedManuscript.docx
  content_type: application/vnd.openxmlformats-officedocument.wordprocessingml.document
  size: 4008139
  md5: 881e8a4f4f00eef3b2a5122bf32708b9
- id: 458b1898-eda3-4a0a-aa13-9d110fbc13e8
  filename: RevisedSupporting_information.docx
  content_type: application/vnd.openxmlformats-officedocument.wordprocessingml.document
  size: 9796068
  md5: 2e4c75ad5567d589a0010ff23cec7a9b

## Thumbnail

fileset_id: 610af135-f83c-4560-81ec-1615a0810abe
filename: RevisedManuscript.docx