Shitara Kazuki 設樂一希

… Alternative Names

設樂一希シタラカズキ

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Researcher Number	40756805
Other IDs
Affiliation (Current)	2025: 一般財団法人ファインセラミックスセンター, その他部局等, 研究員
Affiliation (based on the past Project Information) *help	2025: 一般財団法人ファインセラミックスセンター, その他部局等, 研究員 2022 – 2023: 一般財団法人ファインセラミックスセンター, その他部局等, 研究員 2018 – 2020: 大阪大学, 接合科学研究所, 助教
Review Section/Research Field	Principal Investigator Basic Section 26010:Metallic material properties-related / Basic Section 26020:Inorganic materials and properties-related Except Principal Investigator Basic Section 26020:Inorganic materials and properties-related / Science and Engineering
Keywords	Principal Investigator イオン伝導 / 第一原理計算 / 拡散 / 原子拡散 / 点欠陥 / Mg / Ti / イオン伝導体 / 炭酸アパタイト / ハイドロキシアパタイト … More Except Principal Investigator … More ホウ酸塩 / 塩化物イオン伝導 / 酸塩化物 / 混合アニオン / その場計測 / 低次元物質 / 結晶化学 / 核磁気共鳴法 / 構造・機能材料 / 無機工業化学 / セラミックス / 解析・評価 / 複合アニオ / 高圧合成 / 理論計算 / 核磁気共鳴 / Ｘ線吸収分光 / 電子顕微鏡 / 回折法 / 複合アニオン / 放射光X線分光 / 配位多面体幾何 / 高速イオン伝導 / ヒドリドイオン / 第一原理計算 / 構造解析 / 複合アニオン化合物 Less

Rational design of chloride-ion transport channels using borate framework
- Principal Investigator
  
  辻本吉廣
- Project Period (FY)
  2025 – 2027
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Review Section
  
  Basic Section 26020:Inorganic materials and properties-related
- Research Institution
  National Institute for Materials Science
hcp金属における粒界原子構造と溶質拡散挙動の第一原理計算Principal Investigator
- Principal Investigator
  
  設樂一希
- Project Period (FY)
  2022 – 2024
- Research Category
  
  Grant-in-Aid for Early-Career Scientists
- Review Section
  
  Basic Section 26010:Metallic material properties-related
- Research Institution
  Japan Fine Ceramics Center
Mechanism of Ionic Conduction in Carbonate Apatite by First-principles CalculationsPrincipal Investigator
- Principal Investigator
  
  Shitara Kazuki
- Project Period (FY)
  2018 – 2019
- Research Category
  
  Grant-in-Aid for Early-Career Scientists
- Review Section
  
  Basic Section 26020:Inorganic materials and properties-related
- Research Institution
  Osaka University
Understanding of Mixed Anion Compounds: Analyses of Chemical, Structural and Electronic States
- Principal Investigator
  
  Hayashi Katsuro
- Project Period (FY)
  2016 – 2020
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Review Section
  
  Science and Engineering
- Research Institution
  Kyushu University

All 2023 2021 2019 2018 2017 2016

All Journal Article Presentation

[Journal Article] Mechanisms of point defect formation and ionic conduction in divalent cation-doped lanthanum oxybromide: first-principles and experimental study2023
- Author(s)
  Shitara Kazuki、Kuwabara Akihide、Nunotani Naoyoshi、Misran Muhammad Radzi Iqbal Bin、Inada Miki、Uchiyama Tomoki、Uchimoto Yoshiharu、Imanaka Nobuhito
- Journal Title
  
  Dalton Transactions
  
  Volume: 52 Issue: 41 Pages: 14822-14829
- DOI
  10.1039/d3dt01640d
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22K14465, KAKENHI-PLANNED-22H05146, KAKENHI-PROJECT-23K23046
[Journal Article] Ionic conduction mechanism in Ca-doped lanthanum oxychloride2021
- Author(s)
  Kazuki Shitara, Akihide Kuwabara, Keisuke Hibino, Kotaro Fujii, Masatomo Yashima, James R. Hester, Masanori Umeda, Naoyoshi Nunotani, Nobuhito Imanaka
- Journal Title
  
  Dalton Transactions
  
  Volume: 50 Issue: 1 Pages: 151-156
- DOI
  10.1039/d0dt02502j
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-16H06440, KAKENHI-PLANNED-16H06441, KAKENHI-PROJECT-19H00821, KAKENHI-PROJECT-20K20293, KAKENHI-PUBLICLY-19H04698
[Journal Article] Selective Hydride Occupation in BaVO3?xHx (0.3 ? x ? 0.8) with Face- and Corner-Shared Octahedra2018
- Author(s)
  Yamamoto Takafumi、Shitara Kazuki、Kitagawa Shunsaku、Kuwabara Akihide、Kuroe Masahiro、Ishida Kenji、Ochi Masayuki、Kuroki Kazuhiko、Fujii Kotaro、Yashima Masatomo、Brown Craig M.、Takatsu Hiroshi、Tassel Cedric、Kageyama Hiroshi
- Journal Title
  
  Chemistry of Materials
  
  Volume: 30 Issue: 5 Pages: 1566-1574
- DOI
  10.1021/acs.chemmater.7b04571
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-INTERNATIONAL-16K21724, KAKENHI-ORGANIZER-16H06438, KAKENHI-PLANNED-16H06440, KAKENHI-PUBLICLY-17H05481, KAKENHI-PROJECT-15H02291, KAKENHI-PROJECT-16H06033, KAKENHI-PLANNED-16H06439, KAKENHI-PROJECT-20K20293
[Journal Article] Chemical Pressure-Induced Anion Order-Disorder Transition in LnHO Enabled by Hydride Size Flexibility2018
- Author(s)
  Hiroki Yamashita, Thibault Broux, Yoji Kobayashi, Fumitaka Takeiri, Hiroki Ubukata, Tong Zhu, Michael A. Hayward, Kotaro Fujii, Masatomo Yashima, Kazuki Shitara, Akihide Kuwabara, Taito Murakami, Hiroshi Kageyama
- Journal Title
  
  Journal of the American Chemical Society
  
  Volume: 140 Issue: 36 Pages: 11170-11173
- DOI
  10.1021/jacs.8b06187
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-16H06440, KAKENHI-PROJECT-15H02291, KAKENHI-PROJECT-17F17341, KAKENHI-PROJECT-17J09112, KAKENHI-PROJECT-20K20293, KAKENHI-PLANNED-16H06439
[Journal Article] 複合アニオン化合物における安定な欠陥配位構造の第一原理計算2017
- Author(s)
  桑原彰秀、設樂一希
- Journal Title
  
  セラミックス
  
  Volume: 52 Pages: 844-847
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-16H06440
[Journal Article] On Hydride Diffusion in Transition Metal Perovskite Oxyhydrides Investigated via Deuterium Exchange2017
- Author(s)
  Ya Tang, Yoji Kobayashi*, Kazuki Shitara, Ayako Konishi, Akihide Kuwabara, Takahide Nakashima, Cedric Tassel, Takafumi Yamamoto, and Hiroshi Kageyama*
- Journal Title
  
  Chem. Mater.
  
  Volume: 29 Issue: 19 Pages: 8187-8194
- DOI
  10.1021/acs.chemmater.7b02240
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-16H06439, KAKENHI-PLANNED-16H06440
[Journal Article] ZnTaO2N: Stabilized High-Temperature LiNbO3-type Structure2016
- Author(s)
  Kuno, Y.; Tassel, C.; Fujita, K.; Batuk, D.; Abakumov, A. M.; Shitara, K.; Kuwabara, A.; Moriwake, H.; Watabe, D.; Ritter, C.; Brown, C. M.; Yamamoto, T.; Takeiri, F.; Abe, R.; Kobayashi, Y.; Tanaka, K.; Kageyama, H.
- Journal Title
  
  J. Am. Chem. Soc.
  
  Volume: 138 Issue: 49 Pages: 15950-15955
- DOI
  10.1021/jacs.6b08635
- Peer Reviewed / Acknowledgement Compliant / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-16H06439, KAKENHI-PLANNED-16H06440, KAKENHI-PLANNED-25106008, KAKENHI-PROJECT-16H04496, KAKENHI-PROJECT-16K14386, KAKENHI-PROJECT-16K17877
[Presentation] Mg中の溶質原子の拡散機構と局所環境2023
- Author(s)
  設樂一希，森分博紀
- Organizer
  第33回日本MRS年次大会
- Data Source
  KAKENHI-PROJECT-22K14465
[Presentation] Na添加炭酸アパタイト中の複合欠陥とイオン伝導機構の第一原理計算2019
- Author(s)
  設樂一希，田中優実
- Organizer
  日本セラミックス協会 2019年年会
- Data Source
  KAKENHI-PROJECT-18K13998
[Presentation] First-Principles Study and Descriptor Selection of Site Preference of Hydride Anions in Hexagonal BaVO3-xHx2019
- Author(s)
  Kazuki Shitara, Takafumi Yamamoto, Hiroshi Kageyama, Hiroki Moriwake, Akihide Kuwabara
- Organizer
  MRM2019
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K13998
[Presentation] Site Selectivity of Hydride Ions in Hexagonal BaVO3-xHx: A First-Principles Analysis2019
- Author(s)
  Kazuki Shitara, Takafumi Yamamoto, Hiroshi Kageyama, Hiroki Moriwake, Akihide Kuwabara
- Organizer
  PACRIM 13
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K13998
[Presentation] 第一原理計算による BaTiO3-xN2x/3の欠陥構造解析2018
- Author(s)
  設樂一希，小川貴史，桑原彰秀，竹入史隆，陰山洋，森分博紀
- Organizer
  第28回日本MRSJ年次大会
- Data Source
  KAKENHI-PLANNED-16H06440
[Presentation] 六方晶系BaVO3-xHxにおける水酸化物イオンのサイト選択性に関する第一原理計算2018
- Author(s)
  設樂一希，山本隆文，陰山洋，森分博紀，桑原彰秀
- Organizer
  日本セラミックス協会　２０１８年年会
- Data Source
  KAKENHI-PLANNED-16H06440
[Presentation] 第一原理計算によるバリウムチタン酸窒化物中の複合欠陥と分極反転機構の解析2018
- Author(s)
  設樂一希，小川貴史，桑原彰秀，竹入史隆，陰山洋，森分博紀
- Organizer
  日本金属学会　2018年秋期講演大会
- Data Source
  KAKENHI-PLANNED-16H06440
[Presentation] First-Principles Study of Defect Structures and Ferroelectric Behavior in BaTiO3-xN2x/32017
- Author(s)
  Kazuki Shitara, Takafumi Ogawa, Akihide Kuwabara, Fumitaka Takeiri, Hiroshi Kageyama, Hiroki Moriwake
- Organizer
  第6回豊田理研国際ワークショップ
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-16H06440
[Presentation] 第一原理計算による複合アニオン化合物における固溶状態探索2017
- Author(s)
  桑原彰秀, 設樂一希、山本隆文、陰山洋
- Organizer
  日本セラミックス協会第30回秋季シンポジウム
- Invited
- Data Source
  KAKENHI-PLANNED-16H06440
[Presentation] BaV(O,H)系の安定OH配置の第一原理計算2017
- Author(s)
  設樂一希
- Organizer
  新学術領域　複合アニオン化合物の創製と新機能　第二回若手スクール
- Data Source
  KAKENHI-PLANNED-16H06440
[Presentation] First-Principles Calculations of Complex Defects in Mixed-Anion Perovskites2017
- Author(s)
  Akihide Kuwabara Kazuki Shitara, and Craig A. J. Fisher
- Organizer
  第6回豊田理研国際ワークショップ
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-16H06440
[Presentation] 第一原理計算による複合アニオン化合物の特異な配位環境の解明2017
- Author(s)
  桑原彰秀, 設樂一希、山本隆文、陰山洋
- Organizer
  第11回物性科学領域横断研究会
- Data Source
  KAKENHI-PLANNED-16H06440
[Presentation] 第一原理計算によるBaV(O,H)系の安定構造探索2017
- Author(s)
  設樂一希
- Organizer
  新学術領域　複合アニオン化合物の創製と新機能　第一回若手スクール
- Data Source
  KAKENHI-PLANNED-16H06440

1. Hayashi Katsuro (90397034)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
2. 八島正知 (00239740)

# of Collaborated Projects: 1 results

# of Collaborated Products: 3 results
3. 木本浩司 (90354399)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
4. 吉田朋子 (90283415)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
5. 桑原彰秀 (30378799)

# of Collaborated Projects: 1 results

# of Collaborated Products: 10 results
6. 稲田幹 (40624979)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
7. 野田泰斗 (00631384)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
8. 山本隆文 (80650639)

# of Collaborated Projects: 1 results

# of Collaborated Products: 4 results
9. 辻本吉廣 (50584075)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
10. 布谷直義 (40715314)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
11. 山浦一成 (70391216)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
12. KOBAYASHI Makoto

# of Collaborated Projects: 0 results

# of Collaborated Products: 2 results
13. 陰山洋

# of Collaborated Projects: 0 results

# of Collaborated Products: 3 results

Shitara Kazuki 設樂 一希

設樂 一希 シタラ カズキ

Research Projects

Research Products

Co-Researchers

Rational design of chloride-ion transport channels using borate framework

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

hcp金属における粒界原子構造と溶質拡散挙動の第一原理計算Principal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Mechanism of Ionic Conduction in Carbonate Apatite by First-principles CalculationsPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Understanding of Mixed Anion Compounds: Analyses of Chemical, Structural and Electronic States

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

[Journal Article] Mechanisms of point defect formation and ionic conduction in divalent cation-doped lanthanum oxybromide: first-principles and experimental study2023

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Ionic conduction mechanism in Ca-doped lanthanum oxychloride2021

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Selective Hydride Occupation in BaVO3?xHx (0.3 ? x ? 0.8) with Face- and Corner-Shared Octahedra2018

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Chemical Pressure-Induced Anion Order-Disorder Transition in LnHO Enabled by Hydride Size Flexibility2018

Author(s)

Journal Title

DOI

Data Source

[Journal Article] 複合アニオン化合物における安定な欠陥配位構造の第一原理計算2017

Author(s)

Journal Title

Data Source

[Journal Article] On Hydride Diffusion in Transition Metal Perovskite Oxyhydrides Investigated via Deuterium Exchange2017

Author(s)

Journal Title

DOI

Data Source

[Journal Article] ZnTaO2N: Stabilized High-Temperature LiNbO3-type Structure2016

Author(s)

Journal Title

DOI

Data Source

[Presentation] Mg中の溶質原子の拡散機構と局所環境2023

Author(s)

Organizer

Data Source

[Presentation] Na添加炭酸アパタイト中の複合欠陥とイオン伝導機構の第一原理計算2019

Author(s)

Organizer

Data Source

[Presentation] First-Principles Study and Descriptor Selection of Site Preference of Hydride Anions in Hexagonal BaVO3-xHx2019

Author(s)

Organizer

Data Source

[Presentation] Site Selectivity of Hydride Ions in Hexagonal BaVO3-xHx: A First-Principles Analysis2019

Author(s)

Organizer

Data Source

[Presentation] 第一原理計算による BaTiO3-xN2x/3の欠陥構造解析2018

Shitara Kazuki 設樂一希

設樂一希シタラカズキ