MDR: NIMS Materials Data Repository

キーワード: density functional theory

4 件のレコードが見つかりました。

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

;

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

NIMS Researchers Directory SAMURAI

;

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

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

Toyota Central R&D Labs. Inc

;

Tomoharu Okada (author) (この著者で検索)

;

Hiroyuki Matsui (author) (この著者で検索)

Yamagata University Research Center for Organic Electronics (ROEL)
キーワード: Organic semiconductors, transfer integrals, density functional theory, materials informatics, organic transistors
刊行年月日: 2024-12-31
更新時刻: 2024-06-04 08:30:18 +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

NIMS Researchers Directory SAMURAI

;

Shigeki Kawai (author) (この著者で検索)

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

NIMS Researchers Directory SAMURAI

;

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

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

;

Keisuke Arimoto (author) (この著者で検索)

;

Junji Yamanaka (author) (この著者で検索)

;

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