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density functional theory
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On‐Surface Synthesis of Silole and Disila‐Cyclooctene Derivatives
Description/Abstract:
The incorporation of Si atoms into organic compounds significantly increases a variety of functionality, facilitating further application...
Keyword:
density functional theory
,
nanoribbon structures
,
on-surface synthesis
,
scanning tunneling microscopy/spectroscopy
, and
sila-cyclic rings
Resource Type:
Article
Author:
Kewei Sun
,
Lauri Kurki
,
Orlando J. Silveira
,
Tomohiko Nishiuchi
,
Takashi Kubo
,
Adam S. Foster
, and
Shigeki Kawai
Journal:
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
Date Uploaded:
25/04/2024
A high voltage aqueous proton battery using an optimized operation of a MoO3 positive electrode
Description/Abstract:
Aqueous proton batteries have attracted increasing attention owing to their potential of high safety standard, high rate capability, and ...
Keyword:
density functional theory
,
molybdenum trioxide
,
operando x-ray diffraction
, and
proton battery
Resource Type:
Article
Author:
Atsunori Ikezawa
,
KOYAMA, Yukinori
,
Tadaaki Nishizawa
, and
Hajime Arai
Date Uploaded:
03/02/2023
[Research Highlights Vol.69] Direct Growth of Germanene Marks a Major Step for Electronic Device Fabrication
Description/Abstract:
A team at MANA has succeeded in the direct growth of h-BN-capped germanene on the surface of silver Ag(111). They believe this could be a...
Keyword:
Ag(111)
,
Raman spectroscopy
,
density functional theory
,
germanene
,
graphene
,
hexagonal boron nitride
,
silicene
, and
van der Waals materials
Resource Type:
Article
Author:
International Center for Materials Nanoarchitectonics (WPI-MANA)
Date Uploaded:
18/12/2022
Date Modified:
19/12/2022
[Research Highlights Vol.45] Artificial Intelligence Learns to Predict Photo-Functional Molecules
Description/Abstract:
Artificial intelligence can be used to design new molecules; it is becoming a popular tool because of its potential for discovering molec...
Keyword:
artificial intelligence
,
density functional theory
,
molecule design
,
organic molecules
, and
photofunctional molecules
Resource Type:
Article
Author:
International Center for Materials Nanoarchitectonics (WPI-MANA)
Date Uploaded:
18/12/2022
Date Modified:
19/12/2022
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density functional theory
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National Institute for Materials Science
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International Center for Materials Nanoarchitectonics (WPI-MANA)
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Atsunori Ikezawa
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Academy of Finland
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ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
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