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Research Highlights(1)
資源タイプ
ジャーナル論文(12)
雑誌(1)
キーワード
density functional theory (13)
materials informatics (2)
scanning tunneling microscopy (2)
Organic semiconductors (1)
Al-Nb-Ni (1)
Au porphrins (1)
CALPHAD (1)
Diels-Alder reaction (1)
SQS (1)
Solar cells (1)
(more)
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Creative Commons BY-NC Attribution-NonCommercial 4.0 International (1)
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キーワード: density functional theory
全ての絞り込みを解除
13 件のレコードが見つかりました。
Nanoscale Origin of Strong Charge Carrier Scattering at Grain Boundaries in Orthorhombic SnSe Semiconductor Thin Films
ジャーナル論文
著者
Xinyi He
(author) (
この著者で検索
)
Xinyi He
;
Kenji Matsuo
(author) (
この著者で検索
)
Kenji Matsuo
;
Takayoshi Katase
(author) (
この著者で検索
)
https://orcid.org/0000-0002-2593-7487
(unauthenticated)
Takayoshi Katase
;
Kota Hanzawa
(author) (
この著者で検索
)
https://orcid.org/0000-0002-0995-9360
(unauthenticated)
Kota Hanzawa
;
Hideto Yoshida
(author) (
この著者で検索
)
Hideto Yoshida
;
Shigenori Ueda
(author) (
この著者で検索
)
https://orcid.org/0000-0001-9425-0614
NIMS Researchers Directory SAMURAI
Shigenori Ueda
;
Hidenori Hiramatsu
(author) (
この著者で検索
)
https://orcid.org/0000-0002-5664-5831
(unauthenticated)
Hidenori Hiramatsu
;
Hideo Hosono
(author) (
この著者で検索
)
https://orcid.org/0000-0001-9260-6728
NIMS Researchers Directory SAMURAI
Hideo Hosono
;
Toshio Kamiya
(author) (
この著者で検索
)
Toshio Kamiya
キーワード
tin selenide
,
thermoelectric material
,
epitaxial film
,
carrier transport
,
defect
,
density functional theory
刊行年月日
2025-04-25
更新時刻
2025-05-15 08:38:54 +0900
Systematic C–C Bond Cleavage in Oligomers via Diels–Alder Reaction on Au(111)
ジャーナル論文
著者
Donglin Li
(author) (
この著者で検索
)
Donglin Li
;
Tatsuhiko Ohto
(author) (
この著者で検索
)
https://orcid.org/0000-0001-8681-3800
(unauthenticated)
Nagoya University
Tatsuhiko Ohto
;
Tomohiko Nishiuchi
(author) (
この著者で検索
)
https://orcid.org/0000-0002-2113-0731
(unauthenticated)
Osaka University
Tomohiko Nishiuchi
;
Shino Takeuchi
(author) (
この著者で検索
)
Osaka University
Shino Takeuchi
;
Yuki Nishide
(author) (
この著者で検索
)
Nagoya University
Yuki Nishide
;
Hajime Kimizuka
(author) (
この著者で検索
)
https://orcid.org/0000-0002-4610-9760
(unauthenticated)
Nagoya University
Hajime Kimizuka
;
Takashi Kubo
(author) (
この著者で検索
)
https://orcid.org/0000-0001-6809-7396
(unauthenticated)
Osaka University
Takashi Kubo
;
Shigeki Kawai
(author) (
この著者で検索
)
https://orcid.org/0000-0003-2128-0120
NIMS Researchers Directory SAMURAI
Shigeki Kawai
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
[Research Highlights Vol.45] Artificial Intelligence Learns to Predict Photo-Functional Molecules
雑誌
コレクション
Research Highlights
著者
International Center for Materials Nanoarchitectonics (WPI-MANA)
(author) (
この著者で検索
)
National Institute for Materials Science
International Center for Materials Nanoarchitectonics (WPI-MANA)
キーワード
artificial intelligence
,
organic molecules
,
molecule design
,
density functional theory
,
photofunctional molecules
刊行年月日
2018-12-20
更新時刻
2023-12-25 00:30:22 +0900
キーワード
density functional theory
(13)
materials informatics
(2)
scanning tunneling microscopy
(2)
Organic semiconductors
(1)
Al-Nb-Ni
(1)
Au porphrins
(1)
CALPHAD
(1)
Diels-Alder reaction
(1)
SQS
(1)
Solar cells
(1)
Thermoelectric properties
(1)
acetylene hydrogenation
(1)
all solid state batteries
(1)
approximant crystals
(1)
artificial intelligence
(1)
carrier transport
(1)
catalyst
(1)
cerium dioxide
(1)
defect
(1)
electron and hole pockets
(1)
electron paramagnetic resonance
(1)
electronic structure
(1)
epitaxial film
(1)
first principles
(1)
fragmentation
(1)
high-throughput virtual screening
(1)
machine learning
(1)
melting point
(1)
metallic electrode
(1)
molecule design
(1)
molecule magnets
(1)
molybdenum trioxide
(1)
noncontact atomic force microscopy
(1)
novel materials search
(1)
oligonomers
(1)
on-surface synthesis
(1)
operando x-ray diffraction
(1)
organic molecules
(1)
organic transistors
(1)
photofunctional molecules
(1)
point defects
(1)
power factor
(1)
proton battery
(1)
scanning probe microscopy
(1)
semi-classical Boltzmann theory
(1)
semiconductor
(1)
silicide
(1)
single-molecule spintronics
(1)
solid electrolytes
(1)
spin-state modulation
(1)
surface
(1)
thermodynamic database
(1)
thermoelectric material
(1)
thin films
(1)
tin selenide
(1)
transfer integrals
(1)
water
(1)
work function
(1)
RDEメタデータ定義
RDE送り状
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