MDR: NIMS Materials Data Repository

資源タイプ: ジャーナル論文キーワード: density functional theory

5 件のレコードが見つかりました。

ジャーナル論文
著者: Arkapol Saengdeejing (author) (この著者で検索)

https://orcid.org/0000-0001-8739-3262

National Institute for Materials Science

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;

Ryoji Sahara (author) (この著者で検索)

https://orcid.org/0000-0003-0788-2985

National Institute for Materials Science

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;

Yoshiaki Toda (author) (この著者で検索)

https://orcid.org/0000-0002-8343-2890

National Institute for Materials Science

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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

ジャーナル論文
著者: Oscar Custance (author) (この著者で検索)

https://orcid.org/0000-0001-7931-603X

NIMS Researchers Directory SAMURAI

;

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)

https://orcid.org/0000-0002-7856-7897

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;

Shigeki Kawai (author) (この著者で検索)

https://orcid.org/0000-0003-2128-0120

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;

M. Verónica Ganduglia-Pirovano (author) (この著者で検索)

https://orcid.org/0000-0003-2408-8898 (unauthenticated)

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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

ジャーナル論文
著者: Shamim Sk (author) (この著者で検索)

;

Naoki Sato (author) (この著者で検索)

https://orcid.org/0000-0002-6429-0591

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;

Takao Mori (author) (この著者で検索)

https://orcid.org/0000-0003-2682-1846

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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

ジャーナル論文
著者: Tomoaki Yazaki (author) (この著者で検索)

University of Yamanashi a Center for Crystal Science and Technology

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Keisuke Arimoto (author) (この著者で検索)

;

Junji Yamanaka (author) (この著者で検索)

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Kosuke O. Hara (author) (この著者で検索)
キーワード: Solar cells, metallic electrode, high-throughput virtual screening, work function, melting point, density functional theory
刊行年月日: 2026-12-31
更新時刻: 2026-03-07 12:30:04 +0900

ジャーナル論文
著者: Atsunori Ikezawa (author) (この著者で検索)

https://orcid.org/0000-0002-8857-7159 (unauthenticated)

Tokyo Institute of Technology

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KOYAMA, Yukinori (author) (この著者で検索)

https://orcid.org/0000-0002-7090-4430

National Institute for Materials Science Research and Services Division of Materials Data and Integrated System/Device Materials Informatics Group

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;

Tadaaki Nishizawa (author) (この著者で検索)

Tokyo Institute of Technology

;

Hajime Arai (author) (この著者で検索)

https://orcid.org/0000-0001-6695-637X (unauthenticated)

Tokyo Institute of Technology
キーワード: proton battery, molybdenum trioxide, operando x-ray diffraction, density functional theory
刊行年月日: 2023-01-06
更新時刻: 2024-01-05 22:11:59 +0900