7 件のレコードが見つかりました。 1件目から7件目まで表示します。
Systematic C–C Bond Cleavage in Oligomers via Diels–Alder Reaction on Au(111)
- ジャーナル論文
- 著者
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;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 UniversityHajime 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)
- 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
Catalytic Properties and Their Relation with Adsorption Energies Calculated by Density Functional Theory in Pd-Containing 1/1 Approximant Crystals
- ジャーナル論文
- 著者
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;Haruka Yoshikawa (author) (この著者で検索)National Institute for Materials Science;Farid Labib (author) (この著者で検索)Ya Xu (author) (この著者で検索)National Institute for Materials Science
;
Ryuji Tamura (author) (この著者で検索)
- キーワード
- catalyst, approximant crystals, acetylene hydrogenation, density functional theory
- 刊行年月日
- 2023-10-01
- 更新時刻
- 2024-09-20 12:30:21 +0900
On‐Surface Synthesis of Silole and Disila‐Cyclooctene Derivatives
- ジャーナル論文
- 著者
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Kewei Sun (author) (この著者で検索)National Institute for Materials Science International Center for Young Scientists
;
;Lauri Kurki (author) (この著者で検索)Aalto University Department of Applied Physics;Orlando J. Silveira (author) (この著者で検索)Aalto University Department of Applied Physics;Tomohiko Nishiuchi (author) (この著者で検索)Osaka University Department of Chemistry, Graduate School of Science;Takashi Kubo (author) (この著者で検索)Osaka University Department of Chemistry, Graduate School of Science;Adam S. Foster (author) (この著者で検索)Aalto University Department of Applied PhysicsShigeki Kawai (author) (この著者で検索)National Institute for Materials Science Center for Basic Research on Materials
- キーワード
- on-surface synthesis, sila-cyclic rings, scanning tunneling microscopy/spectroscopy, density functional theory, nanoribbon structures
- 刊行年月日
- 2024-04-24
- 更新時刻
- 2024-04-25 16:30:15 +0900
Near-surface defects break symmetry in water adsorption on CeO2−x(111)
- ジャーナル論文
- 著者
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Oscar Custance (author) (この著者で検索)
;
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)
;
Shigeki Kawai (author) (この著者で検索)
;
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
Shaping Maximally Localized Wannier Functions via Discrete Adiabatic Transport
- ジャーナル論文
- 著者
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;Yuji Hamai (author) (この著者で検索)Katsunori Wakabayashi (author) (この著者で検索)
https://orcid.org/0000-0002-9147-9939
(unauthenticated)
National Institute for Materials Science
- キーワード
- Wannier function, maximally localized Wannier function, density functional theory, adiabatic transport theory, Berry phase, Zak phase, Wilson loop
- 刊行年月日
- 2026-07-15
- 更新時刻
- 2026-06-16 11:13:40 +0900
Thermoelectric properties of marcasite-type compounds MSb2 (M = Ta, Nb): a combined experimental and computational study
- ジャーナル論文
- 著者
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;Shamim Sk (author) (この著者で検索)Naoki Sato (author) (この著者で検索)
;
Takao Mori (author) (この著者で検索)
- 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
Computational material screening for electrode materials of BaSi2 solar cells
- ジャーナル論文
- 著者
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;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