MDR: NIMS Materials Data Repository

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: 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)

https://orcid.org/0000-0002-5848-113X

National Institute for Materials Science

NIMS Researchers Directory SAMURAI

;

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

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

;

Tatsuhiko Ohto (author) (この著者で検索)

https://orcid.org/0000-0001-8681-3800 (unauthenticated)

Nagoya University

;

Tomohiko Nishiuchi (author) (この著者で検索)

https://orcid.org/0000-0002-2113-0731 (unauthenticated)

Osaka University

;

Shino Takeuchi (author) (この著者で検索)

Osaka University

;

Yuki Nishide (author) (この著者で検索)

Nagoya University

;

Hajime Kimizuka (author) (この著者で検索)

https://orcid.org/0000-0002-4610-9760 (unauthenticated)

Nagoya University

;

Takashi Kubo (author) (この著者で検索)

https://orcid.org/0000-0001-6809-7396 (unauthenticated)

Osaka University

;

Shigeki Kawai (author) (この著者で検索)

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

NIMS Researchers Directory SAMURAI
キーワード: on-surface synthesis, fragmentation, Diels-Alder reaction, scanning tunneling microscopy, density functional theory, oligonomers
刊行年月日: 2025-10-14
更新時刻: 2025-10-21 16:06:44 +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

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

NIMS Researchers Directory SAMURAI

;

Takao Mori (author) (この著者で検索)

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

NIMS Researchers Directory SAMURAI
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: 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