5 records found.
Systematic C–C Bond Cleavage in Oligomers via Diels–Alder Reaction on Au(111)
- Article
- Creator
-
Donglin Li
;
Tatsuhiko Ohto
;
Tomohiko Nishiuchi
;
Shino Takeuchi
;
Yuki Nishide
;
Hajime Kimizuka
;
Takashi Kubo
;
Shigeki Kawai
- 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
First-principles thermodynamic modeling for the Al-Nb-Ni ternary system
- Article
- Creator
-
Arkapol Saengdeejing
;
Ryoji Sahara
;
Yoshiaki Toda
- 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
- Article
- Creator
-
Takuma Sato
;
Jean-Marie Mouesca
;
Anne-Laure Barra
;
Didier Gourier
;
Motoharu Imai
;
Takashi Suemasu
;
Serge Gambarelli
- 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
On‐Surface Synthesis of Silole and Disila‐Cyclooctene Derivatives
- Article
- Creator
-
Kewei Sun
;
Lauri Kurki
;
Orlando J. Silveira
;
Tomohiko Nishiuchi
;
Takashi Kubo
;
Adam S. Foster
;
Shigeki Kawai
- Keyword
- on-surface synthesis, sila-cyclic rings, scanning tunneling microscopy/spectroscopy, density functional theory, nanoribbon structures
- Date published
- 2024-04-24
- Updated at
- 2024-04-25 16:30:15 +0900
A high voltage aqueous proton battery using an optimized operation of a MoO3 positive electrode
- Article
- Creator
-
Atsunori Ikezawa
;
KOYAMA, Yukinori
;
Tadaaki Nishizawa
;
Hajime Arai
- 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