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Research Highlights(2)
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論文(12)
雑誌(2)
キーワード
density functional theory (14)
materials informatics (2)
on-surface synthesis (2)
scanning tunneling microscopy (2)
Organic semiconductors (1)
1,4-phenylene diisocyanide (1)
5-fluorouracil (1)
Ag(111) (1)
Al-Nb-Ni (1)
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キーワード: density functional theory
全ての絞り込みを解除
14 件のレコードが見つかりました。
Multiobjective Solid Electrolyte Design of Tetragonal and Cubic Inverse-Perovskites for All-Solid-State Lithium-Ion Batteries by High-Throughput Density Functional Theory Calculations and AI-Driven Methods
論文
著者
JALEM Randy
;
TATEYAMA Yoshitaka
;
TAKADA Kazunori
; JANG Seonghoon
キーワード
all solid state batteries
,
solid electrolytes
,
density functional theory
,
materials informatics
,
machine learning
,
novel materials search
刊行年月日
2023-09-07
更新時刻
2024-08-28 08:30:15 +0900
A high voltage aqueous proton battery using an optimized operation of a MoO3 positive electrode
論文
著者
Atsunori Ikezawa
;
KOYAMA, Yukinori
; Tadaaki Nishizawa ;
Hajime Arai
キーワード
proton battery
,
molybdenum trioxide
,
operando x-ray diffraction
,
density functional theory
刊行年月日
2023-01-06
更新時刻
2024-01-05 22:11:59 +0900
[Research Highlights Vol.69] Direct Growth of Germanene Marks a Major Step for Electronic Device Fabrication
雑誌
コレクション
Research Highlights
著者
International Center for Materials Nanoarchitectonics (WPI-MANA)
キーワード
density functional theory
,
germanene
,
graphene
,
hexagonal boron nitride
,
Raman spectroscopy
,
van der Waals materials
,
Ag(111)
,
silicene
刊行年月日
2021-07-15
更新時刻
2023-12-26 21:46:24 +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)
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
(14)
materials informatics
(2)
on-surface synthesis
(2)
scanning tunneling microscopy
(2)
Organic semiconductors
(1)
1,4-phenylene diisocyanide
(1)
5-fluorouracil
(1)
Ag(111)
(1)
Al-Nb-Ni
(1)
CALPHAD
(1)
CO2 islands
(1)
Diels-Alder reaction
(1)
Raman spectroscopy
(1)
SQS
(1)
Thermoelectric properties
(1)
Watson−Crick/Hoogsteen Base Pairs
(1)
acetylene hydrogenation
(1)
all solid state batteries
(1)
approximant crystals
(1)
artificial intelligence
(1)
atomic force microscopy
(1)
catalyst
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cerium dioxide
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chirality
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electron paramagnetic resonance
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electronic structure
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fragmentation
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(1)
machine learning
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novel materials search
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(1)
organic molecules
(1)
organic transistors
(1)
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(1)
point defects
(1)
power factor
(1)
proton battery
(1)
scanning probe microscopy
(1)
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(1)
semi-classical Boltzmann theory
(1)
semiconductor
(1)
sila-cyclic rings
(1)
silicene
(1)
silicide
(1)
solid electrolytes
(1)
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(1)
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(1)
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(1)
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(1)
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