6 件のレコードが見つかりました。
Near-surface defects break symmetry in water adsorption on CeO2−x(111)
- ジャーナル論文
- 著者
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Oscar Custance (author) (この著者で検索)
;
Manuel González Lastre (author) (この著者で検索)
https://orcid.org/0009-0000-2299-6687
(unauthenticated)
;
Kyungmin Kim (author) (この著者で検索)
https://orcid.org/0000-0002-3147-5100
(unauthenticated)
;
Estefanía Fernández-Villanueva (author) (この著者で検索)
https://orcid.org/0000-0002-9419-0786
(unauthenticated)
;
Pablo Pou (author) (この著者で検索)
https://orcid.org/0000-0002-5854-8218
(unauthenticated)
;
Masayuki Abe (author) (この著者で検索)
https://orcid.org/0000-0001-5619-3911
(unauthenticated)
;
Hossein Sepehri-Amin (author) (この著者で検索)
;
Shigeki Kawai (author) (この著者で検索)
;
M. Verónica Ganduglia-Pirovano (author) (この著者で検索)
https://orcid.org/0000-0003-2408-8898
(unauthenticated)
;
Ruben Perez (author) (この著者で検索)
https://orcid.org/0000-0001-5896-541X
(unauthenticated)
- キーワード
- scanning probe microscopy, cerium dioxide, water, surface, thin films, density functional theory
- 刊行年月日
- 2026-01-23
- 更新時刻
- 2026-02-08 08:30:20 +0900
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
;
;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
;
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
Nanoscale Origin of Strong Charge Carrier Scattering at Grain Boundaries in Orthorhombic SnSe Semiconductor Thin Films
- ジャーナル論文
- 著者
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;Xinyi He (author) (この著者で検索);Kenji Matsuo (author) (この著者で検索)Takayoshi Katase (author) (この著者で検索)
https://orcid.org/0000-0002-2593-7487
(unauthenticated)
;
Kota Hanzawa (author) (この著者で検索)
https://orcid.org/0000-0002-0995-9360
(unauthenticated)
;
;Hideto Yoshida (author) (この著者で検索)Shigenori Ueda (author) (この著者で検索)
;
Hidenori Hiramatsu (author) (この著者で検索)
https://orcid.org/0000-0002-5664-5831
(unauthenticated)
;
Hideo Hosono (author) (この著者で検索)
;
Toshio Kamiya (author) (この著者で検索)
- キーワード
- tin selenide, thermoelectric material, epitaxial film, carrier transport, defect, density functional theory
- 刊行年月日
- 2025-04-25
- 更新時刻
- 2025-05-15 08:38:54 +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