Keyword: density functional theory

15 records found.

20240424 Angew Chem Int Ed - 2024 - Sun - On‐Surface Synthesis of Silole and Disila‐Cyclooctene Derivatives.pdf
On‐Surface Synthesis of Silole and Disila‐Cyclooctene Derivatives
Article
Creator
Kewei Sun SAMURAI ORCID ; Lauri Kurki ; Orlando J. Silveira ; Tomohiko Nishiuchi ; Takashi Kubo ; Adam S. Foster ; Shigeki Kawai SAMURAI ORCID
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

[Vol. 69]Direct Growth of Germanene Marks a Major Step for Electronic Device Fabrication_ WPI-MANA.pdf
[Research Highlights Vol.69] Direct Growth of Germanene Marks a Major Step for Electronic Device Fabrication
Magazine
Collection
Research Highlights
Creator
International Center for Materials Nanoarchitectonics (WPI-MANA)
Keyword
density functional theory, germanene, graphene, hexagonal boron nitride, Raman spectroscopy, van der Waals materials, Ag(111), silicene
Date published
2021-07-15
Updated at
2023-12-26 21:46:24 +0900

[Vol. 45]Artificial Intelligence Learns to Predict Photo-Functional Molecules_ WPI-MANA.pdf
[Research Highlights Vol.45] Artificial Intelligence Learns to Predict Photo-Functional Molecules
Magazine
Collection
Research Highlights
Creator
International Center for Materials Nanoarchitectonics (WPI-MANA)
Keyword
artificial intelligence, organic molecules, molecule design, density functional theory, photofunctional molecules
Date published
2018-12-20
Updated at
2023-12-25 00:30:22 +0900