4 件のレコードが見つかりました。
Point defects in BaSi2 identified and analyzed by electron paramagnetic resonance, photoluminescence and density functional theory
- ジャーナル論文
- 著者
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;Takuma Sato (author) (この著者で検索);Jean-Marie Mouesca (author) (この著者で検索);Anne-Laure Barra (author) (この著者で検索);Didier Gourier (author) (この著者で検索)Motoharu Imai (author) (この著者で検索)National Institute for Materials Science
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;Takashi Suemasu (author) (この著者で検索)Serge Gambarelli (author) (この著者で検索) - キーワード
- silicide, semiconductor, point defects, electron paramagnetic resonance, density functional theory
- 刊行年月日
- 2024-07-29
- 更新時刻
- 2024-08-26 12:30:40 +0900
Thermoelectric properties of marcasite-type compounds MSb2 (M = Ta, Nb): a combined experimental and computational study
- ジャーナル論文
- 著者
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;Shamim Sk (author) (この著者で検索)Naoki Sato (author) (この著者で検索)
;
Takao Mori (author) (この著者で検索)
- キーワード
- Thermoelectric properties, density functional theory, electronic structure, electron and hole pockets, semi-classical Boltzmann theory, power factor
- 刊行年月日
- 2025-03-31
- 更新時刻
- 2026-02-18 12:30:04 +0900
First-principles thermodynamic modeling for the Al-Nb-Ni ternary system
- ジャーナル論文
- 著者
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Arkapol Saengdeejing (author) (この著者で検索)National Institute for Materials Science
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Ryoji Sahara (author) (この著者で検索)National Institute for Materials Science
;
Yoshiaki Toda (author) (この著者で検索)National Institute for Materials Science
- キーワード
- CALPHAD, density functional theory, SQS, first principles, thermodynamic database, Al-Nb-Ni
- 刊行年月日
- 2024-12-31
- 更新時刻
- 2024-12-05 12:47:48 +0900
Catalytic Properties and Their Relation with Adsorption Energies Calculated by Density Functional Theory in Pd-Containing 1/1 Approximant Crystals
- ジャーナル論文
- 著者
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;Haruka Yoshikawa (author) (この著者で検索)National Institute for Materials Science;Farid Labib (author) (この著者で検索)Ya Xu (author) (この著者で検索)National Institute for Materials Science
;
Ryuji Tamura (author) (この著者で検索)
- キーワード
- catalyst, approximant crystals, acetylene hydrogenation, density functional theory
- 刊行年月日
- 2023-10-01
- 更新時刻
- 2024-09-20 12:30:21 +0900