5 records found.
Point defects in BaSi2 identified and analyzed by electron paramagnetic resonance, photoluminescence and density functional theory
- Journal article
- Creator
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;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
Systematic C–C Bond Cleavage in Oligomers via Diels–Alder Reaction on Au(111)
- Journal article
- Creator
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;Donglin Li (author) (Search by this author)Tatsuhiko Ohto (author) (Search by this author)
https://orcid.org/0000-0001-8681-3800
(unauthenticated)
Nagoya University
;
Tomohiko Nishiuchi (author) (Search by this author)
https://orcid.org/0000-0002-2113-0731
(unauthenticated)
Osaka University
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;Shino Takeuchi (author) (Search by this author)Osaka University;Yuki Nishide (author) (Search by this author)Nagoya UniversityHajime Kimizuka (author) (Search by this author)
https://orcid.org/0000-0002-4610-9760
(unauthenticated)
Nagoya University
;
Takashi Kubo (author) (Search by this author)
https://orcid.org/0000-0001-6809-7396
(unauthenticated)
Osaka University
;
Shigeki Kawai (author) (Search by this author)
- Keyword
- on-surface synthesis, fragmentation, Diels-Alder reaction, scanning tunneling microscopy, density functional theory, oligonomers
- Date published
- 2025-10-14
- Updated at
- 2025-10-21 16:06:44 +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
Thermoelectric properties of marcasite-type compounds MSb2 (M = Ta, Nb): a combined experimental and computational study
- Journal article
- Creator
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;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
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
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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
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;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