- first-principles calculations (2)
- All-electron GW calculation (1)
- C/N doped anatase TiO2 (1)
- all solid state batteries (1)
- band gap narrowing (1)
- cathode coatings (1)
- lithium ion conductors (1)
- machine learning interatomic potentials (1)
- molecular dynamics simulations (1)
- solid electrolytes (1)
All-electron GW calculation of the electronic structure in light-element-doped TiO2
- プレゼンテーション
- 著者
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Ryoji Sahara (author) (この著者で検索)National Institute for Materials Science Research Center for Structural Materials/Materials Evaluation Field/Computational Structural Materials Group
;
;Takashi Ishikawa (author) (この著者で検索)Tohoku University;Kaoru Ohno (author) (この著者で検索)Yokohama National University;Kyosuke Ueda (author) (この著者で検索)Tohoku UniversityTakayuki Narushima (author) (この著者で検索)Tohoku University - キーワード
- All-electron GW calculation, C/N doped anatase TiO2, band gap narrowing, first-principles calculations
- 刊行年月日
- 更新時刻
- 2025-12-10 16:30:22 +0900
First‐Principles Study on the Interfacial Cathode‐Contact Stability and Li Diffusivity of N‐Doped Li 6 Zr 2 O 7 for All‐Solid‐State Li‐Ion Batteries
- ジャーナル論文
- 著者
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Randy Jalem (author) (この著者で検索)
;
Yoshitaka Tateyama (author) (この著者で検索)
;
Kazunori Takada (author) (この著者で検索)
;
;Tetsuya Yamada (author) (この著者で検索)Katsuya Teshima (author) (この著者で検索)
- キーワード
- all solid state batteries, lithium ion conductors, solid electrolytes, cathode coatings, first-principles calculations, molecular dynamics simulations, machine learning interatomic potentials, solid hetero-interface modeling
- 刊行年月日
- 2025-10-01
- 更新時刻
- 2025-12-19 08:30:58 +0900