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
Near-surface defects break symmetry in water adsorption on CeO2−x(111)
- Journal article
- Creator
-
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
Thermoelectric properties of marcasite-type compounds MSb2 (M = Ta, Nb): a combined experimental and computational study
- Journal article
- Creator
-
;Shamim Sk (author) (Search by this author)Naoki Sato (author) (Search by this author)
;
Takao Mori (author) (Search by this author)
- Keyword
- Thermoelectric properties, density functional theory, electronic structure, electron and hole pockets, semi-classical Boltzmann theory, power factor
- Date published
- 2025-03-31
- Updated at
- 2026-02-18 12:30:04 +0900
Computational material screening for electrode materials of BaSi2 solar cells
- Journal article
- Creator
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;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
A high voltage aqueous proton battery using an optimized operation of a MoO3 positive electrode
- Journal article
- Creator
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Atsunori Ikezawa (author) (Search by this author)
https://orcid.org/0000-0002-8857-7159
(unauthenticated)
Tokyo Institute of Technology
;
KOYAMA, Yukinori (author) (Search by this author)Research and Services Division of Materials Data and Integrated System/Device Materials Informatics Group, National Institute for Materials Science
;
;Tadaaki Nishizawa (author) (Search by this author)Tokyo Institute of TechnologyHajime Arai (author) (Search by this author)
https://orcid.org/0000-0001-6695-637X
(unauthenticated)
Tokyo Institute of Technology
- Keyword
- proton battery, molybdenum trioxide, operando x-ray diffraction, density functional theory
- Date published
- 2023-01-06
- Updated at
- 2024-01-05 22:11:59 +0900