5 records found.
First-principles thermodynamic modeling for the Al-Nb-Ni ternary system
- Journal article
- Creator
-
Arkapol Saengdeejing (author) (Search by this author)National Institute for Materials Science
;
Ryoji Sahara (author) (Search by this author)National Institute for Materials Science
;
Yoshiaki Toda (author) (Search by this author)National Institute for Materials Science
- Keyword
- CALPHAD, density functional theory, SQS, first principles, thermodynamic database, Al-Nb-Ni
- Date published
- 2024-12-31
- Updated at
- 2024-12-05 12:47:48 +0900
Point defects in BaSi2 identified and analyzed by electron paramagnetic resonance, photoluminescence and density functional theory
- Journal article
- Creator
-
;Takuma Sato (author) (Search by this author);Jean-Marie Mouesca (author) (Search by this author);Anne-Laure Barra (author) (Search by this author);Didier Gourier (author) (Search by this author)Motoharu Imai (author) (Search by this author)National Institute for Materials Science
;
;Takashi Suemasu (author) (Search by this author)Serge Gambarelli (author) (Search by this author)
- Keyword
- silicide, semiconductor, point defects, electron paramagnetic resonance, density functional theory
- Date published
- 2024-07-29
- Updated at
- 2024-08-26 12:30:40 +0900
Near-surface defects break symmetry in water adsorption on CeO2−x(111)
- Journal article
- Creator
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Oscar Custance (author) (Search by this author)
;
Manuel González Lastre (author) (Search by this author)
https://orcid.org/0009-0000-2299-6687
(unauthenticated)
;
Kyungmin Kim (author) (Search by this author)
https://orcid.org/0000-0002-3147-5100
(unauthenticated)
;
Estefanía Fernández-Villanueva (author) (Search by this author)
https://orcid.org/0000-0002-9419-0786
(unauthenticated)
;
Pablo Pou (author) (Search by this author)
https://orcid.org/0000-0002-5854-8218
(unauthenticated)
;
Masayuki Abe (author) (Search by this author)
https://orcid.org/0000-0001-5619-3911
(unauthenticated)
;
Hossein Sepehri-Amin (author) (Search by this author)
;
Shigeki Kawai (author) (Search by this author)
;
M. Verónica Ganduglia-Pirovano (author) (Search by this author)
https://orcid.org/0000-0003-2408-8898
(unauthenticated)
;
Ruben Perez (author) (Search by this author)
https://orcid.org/0000-0001-5896-541X
(unauthenticated)
- Keyword
- scanning probe microscopy, cerium dioxide, water, surface, thin films, density functional theory
- Date published
- 2026-01-23
- Updated at
- 2026-02-08 08:30:20 +0900
Nanoscale Origin of Strong Charge Carrier Scattering at Grain Boundaries in Orthorhombic SnSe Semiconductor Thin Films
- Journal article
- Creator
-
;Xinyi He (author) (Search by this author);Kenji Matsuo (author) (Search by this author)Takayoshi Katase (author) (Search by this author)
https://orcid.org/0000-0002-2593-7487
(unauthenticated)
;
Kota Hanzawa (author) (Search by this author)
https://orcid.org/0000-0002-0995-9360
(unauthenticated)
;
;Hideto Yoshida (author) (Search by this author)Shigenori Ueda (author) (Search by this author)
;
Hidenori Hiramatsu (author) (Search by this author)
https://orcid.org/0000-0002-5664-5831
(unauthenticated)
;
Hideo Hosono (author) (Search by this author)
;
Toshio Kamiya (author) (Search by this author)
- Keyword
- tin selenide, thermoelectric material, epitaxial film, carrier transport, defect, density functional theory
- Date published
- 2025-04-25
- Updated at
- 2025-05-15 08:38:54 +0900
Computational material screening for electrode materials of BaSi2 solar cells
- Journal article
- Creator
-
;Tomoaki Yazaki (author) (Search by this author)a Center for Crystal Science and Technology, University of Yamanashi;Keisuke Arimoto (author) (Search by this author);Junji Yamanaka (author) (Search by this author)Kosuke O. Hara (author) (Search by this author)
- Keyword
- Solar cells, metallic electrode, high-throughput virtual screening, work function, melting point, density functional theory
- Date published
- 2026-12-31
- Updated at
- 2026-03-07 12:30:04 +0900