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計算手法
https://matvoc.nims.go.jp/entity/Q21 (1)
密度汎関数理論または電子構造 (1)
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2944 件のレコードが見つかりました。
Nanoconfinement‐Driven Energy‐Efficient CO
2
Capture and Release at High Pressures on a Unique Large‐Pore Mesoporous Carbon
ジャーナル論文
著者
László Szabó
(author) (
この著者で検索
)
https://orcid.org/0000-0003-4268-4423
(unauthenticated)
National Institute for Materials Science
László Szabó
;
Mizuki Inoue
(author) (
この著者で検索
)
https://orcid.org/0000-0003-3098-5448
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Mizuki Inoue
;
Yurina Sekine
(author) (
この著者で検索
)
Yurina Sekine
;
Ryuhei Motokawa
(author) (
この著者で検索
)
Ryuhei Motokawa
;
Yusuke Matsumoto
(author) (
この著者で検索
)
Yusuke Matsumoto
;
Thi Thi Nge
(author) (
この著者で検索
)
Thi Thi Nge
;
Edhuan Ismail
(author) (
この著者で検索
)
https://orcid.org/0000-0003-1031-6562
National Institute for Materials Science
Edhuan Ismail
;
Izumi Ichinose
(author) (
この著者で検索
)
https://orcid.org/0000-0002-2236-0942
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Izumi Ichinose
;
Tatsuhiko Yamada
(author) (
この著者で検索
)
Tatsuhiko Yamada
キーワード
Carbon dioxide fixation
,
Lignin
,
Mesoporous carbon
,
Regeneration
,
Template synthesis
刊行年月日
2025-05-19
更新時刻
2026-01-28 16:30:10 +0900
Anion vacancies activate N2 to ammonia on Ba–Si orthosilicate oxynitride-hydride
ジャーナル論文
著者
Zhujun Zhang
(author) (
この著者で検索
)
Zhujun Zhang
;
Kazuki Miyashita
(author) (
この著者で検索
)
Kazuki Miyashita
;
Tong Wu
(author) (
この著者で検索
)
Tong Wu
;
Jun Kujirai
(author) (
この著者で検索
)
Jun Kujirai
;
Kiya Ogasawara
(author) (
この著者で検索
)
Kiya Ogasawara
;
Jiang Li
(author) (
この著者で検索
)
Jiang Li
;
Yihao Jiang
(author) (
この著者で検索
)
Yihao Jiang
;
Masayoshi Miyazaki
(author) (
この著者で検索
)
Masayoshi Miyazaki
;
Satoru Matsuishi
(author) (
この著者で検索
)
https://orcid.org/0000-0001-8905-0255
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Satoru Matsuishi
;
Masato Sasase
(author) (
この著者で検索
)
Masato Sasase
;
Tomofumi Tada
(author) (
この著者で検索
)
Tomofumi Tada
;
Hideo Hosono
(author) (
この著者で検索
)
https://orcid.org/0000-0001-9260-6728
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Hideo Hosono
;
Masaaki Kitano
(author) (
この著者で検索
)
Masaaki Kitano
キーワード
catalyst
,
ammonia synthesis
,
hydride
刊行年月日
2025-02-17
更新時刻
2025-11-10 16:30:48 +0900
In situ engineering hexagonal boron nitride in van der Waals heterostructures with selective SF
6
etching
ジャーナル論文
著者
Hitesh Agarwal
(author) (
この著者で検索
)
Hitesh Agarwal
;
Antoine Reserbat-Plantey
(author) (
この著者で検索
)
Antoine Reserbat-Plantey
;
David Barcons Ruiz
(author) (
この著者で検索
)
David Barcons Ruiz
;
Karuppasamy Pandian Soundarapandian
(author) (
この著者で検索
)
Karuppasamy Pandian Soundarapandian
;
Geng Li
(author) (
この著者で検索
)
Geng Li
;
Vahagn Mkhitaryan
(author) (
この著者で検索
)
Vahagn Mkhitaryan
;
Johann Osmond
(author) (
この著者で検索
)
Johann Osmond
;
Helena Lozano
(author) (
この著者で検索
)
Helena Lozano
;
Kenji Watanabe
(author) (
この著者で検索
)
https://orcid.org/0000-0003-3701-8119
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Kenji Watanabe
;
Takashi Taniguchi
(author) (
この著者で検索
)
https://orcid.org/0000-0002-1467-3105
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Takashi Taniguchi
;
Petr Stepanov
(author) (
この著者で検索
)
Petr Stepanov
;
Frank H L Koppens
(author) (
この著者で検索
)
Frank H L Koppens
;
Roshan Krishna Kumar
(author) (
この著者で検索
)
Roshan Krishna Kumar
キーワード
hexagonal boron nitride (hBN)
,
selective etching
,
van der Waals heterostructures
刊行年月日
2025-10-01
更新時刻
2026-03-03 08:30:26 +0900
First‐Principles Study on the Interfacial Cathode‐Contact Stability and Li Diffusivity of N‐Doped Li
6
Zr
2
O
7
for All‐Solid‐State Li‐Ion Batteries
ジャーナル論文
著者
Randy Jalem
(author) (
この著者で検索
)
https://orcid.org/0000-0001-9505-771X
NIMS Researchers Directory SAMURAI
Randy Jalem
;
Yoshitaka Tateyama
(author) (
この著者で検索
)
https://orcid.org/0000-0002-5532-6134
NIMS Researchers Directory SAMURAI
Yoshitaka Tateyama
;
Kazunori Takada
(author) (
この著者で検索
)
https://orcid.org/0000-0001-7568-1806
NIMS Researchers Directory SAMURAI
Kazunori Takada
;
Tetsuya Yamada
(author) (
この著者で検索
)
Tetsuya Yamada
;
Katsuya Teshima
(author) (
この著者で検索
)
Katsuya Teshima
キーワード
all solid state batteries
,
lithium ion conductors
,
solid electrolytes
,
cathode coatings
,
first-principles calculations
,
molecular dynamics simulations
,
machine learning interatomic potentials
,
solid hetero-interface modeling
刊行年月日
2025-10-01
更新時刻
2025-12-19 08:30:58 +0900
Valley Isospin Controlled Fractional Quantum Hall States in Bilayer Graphene
ジャーナル論文
著者
Ke Huang
(author) (
この著者で検索
)
Ke Huang
;
Hailong Fu
(author) (
この著者で検索
)
Hailong Fu
;
Danielle Reifsnyder Hickey
(author) (
この著者で検索
)
Danielle Reifsnyder Hickey
;
Nasim Alem
(author) (
この著者で検索
)
Nasim Alem
;
Xi Lin
(author) (
この著者で検索
)
Xi Lin
;
Kenji Watanabe
(author) (
この著者で検索
)
https://orcid.org/0000-0003-3701-8119
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Kenji Watanabe
;
Takashi Taniguchi
(author) (
この著者で検索
)
https://orcid.org/0000-0002-1467-3105
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Takashi Taniguchi
;
Jun Zhu
(author) (
この著者で検索
)
Jun Zhu
キーワード
Landau levels
,
Bernal-stacked bilayer graphene
,
fractional quantum Hall state
刊行年月日
2022-07-28
更新時刻
2025-02-28 12:30:33 +0900
Quantifying the Thresholds of the Phospholipid Surface Density for Nonspecific Protein Adsorption and Desorption at the Triacylglycerol/Water Interface
ジャーナル論文
著者
Chiho Kataoka-Hamai
(author) (
この著者で検索
)
https://orcid.org/0000-0002-4068-0405
NIMS Researchers Directory SAMURAI
Chiho Kataoka-Hamai
キーワード
Lipid droplets
,
triacylglycerol
,
oil/water interface
,
protein
刊行年月日
2025-09-23
更新時刻
2025-09-24 16:30:20 +0900
Liquid-activated quantum emission from pristine hexagonal boron nitride for nanofluidic sensing
ジャーナル論文
著者
Nathan Ronceray
(author) (
この著者で検索
)
Nathan Ronceray
;
Yi You
(author) (
この著者で検索
)
Yi You
;
Evgenii Glushkov
(author) (
この著者で検索
)
Evgenii Glushkov
;
Martina Lihter
(author) (
この著者で検索
)
Martina Lihter
;
Benjamin Rehl
(author) (
この著者で検索
)
Benjamin Rehl
;
Tzu-Heng Chen
(author) (
この著者で検索
)
Tzu-Heng Chen
;
Gwang-Hyeon Nam
(author) (
この著者で検索
)
Gwang-Hyeon Nam
;
Fanny Borza
(author) (
この著者で検索
)
Fanny Borza
;
Kenji Watanabe
(author) (
この著者で検索
)
https://orcid.org/0000-0003-3701-8119
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Kenji Watanabe
;
Takashi Taniguchi
(author) (
この著者で検索
)
https://orcid.org/0000-0002-1467-3105
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Takashi Taniguchi
;
Sylvie Roke
(author) (
この著者で検索
)
Sylvie Roke
;
Ashok Keerthi
(author) (
この著者で検索
)
Ashok Keerthi
;
Jean Comtet
(author) (
この著者で検索
)
Jean Comtet
;
Boya Radha
(author) (
この著者で検索
)
Boya Radha
;
Aleksandra Radenovic
(author) (
この著者で検索
)
Aleksandra Radenovic
キーワード
Atomic scale
,
new properties
,
optical approaches
刊行年月日
2023-08-31
更新時刻
2025-02-28 08:30:45 +0900
Low-Contrast BIC Metasurfaces with Quality Factors Exceeding 100,000
ジャーナル論文
著者
Keisuke Watanabe
(author) (
この著者で検索
)
https://orcid.org/0000-0002-4285-2135
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Keisuke Watanabe
;
Tadaaki Nagao
(author) (
この著者で検索
)
https://orcid.org/0000-0002-6746-2686
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Tadaaki Nagao
;
Masanobu Iwanaga
(author) (
この著者で検索
)
https://orcid.org/0000-0002-8930-6940
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Masanobu Iwanaga
キーワード
Metasurfaces
,
Bound states in the continuum
,
Q factors
,
All-dielectric
,
Silicon
,
Biosensors
刊行年月日
2025-02-19
更新時刻
2025-02-23 22:49:30 +0900
Amplifying Photochromic Response in Tungsten Oxide Films with Titanium Oxide and Polyvinylpyrrolidone
ジャーナル論文
著者
Min-Sung Kim
(author) (
この著者で検索
)
Min-Sung Kim
;
Jun-Ho Yoon
(author) (
この著者で検索
)
Jun-Ho Yoon
;
Hong-Mo Kim
(author) (
この著者で検索
)
Hong-Mo Kim
;
Dong-Jun Lee
(author) (
この著者で検索
)
Dong-Jun Lee
;
Tamaki Hirose
(author) (
この著者で検索
)
Tamaki Hirose
;
Yoshihiko Takeda
(author) (
この著者で検索
)
https://orcid.org/0000-0003-4961-3687
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Yoshihiko Takeda
;
Jae-Pil Kim
(author) (
この著者で検索
)
Jae-Pil Kim
キーワード
tungsten oxide nanoparticles
,
hybrid composite
,
dispersibility
,
photochromic property
刊行年月日
2024-06-29
更新時刻
2024-08-29 08:30:27 +0900
Nuclear magnetic resonance of
ions implanted in ZnO
ジャーナル論文
著者
Jonah R. Adelman
(author) (
この著者で検索
)
Jonah R. Adelman
;
Derek Fujimoto
(author) (
この著者で検索
)
Derek Fujimoto
;
Martin H. Dehn
(author) (
この著者で検索
)
Martin H. Dehn
;
Sarah R. Dunsiger
(author) (
この著者で検索
)
Sarah R. Dunsiger
;
Victoria L. Karner
(author) (
この著者で検索
)
Victoria L. Karner
;
C. D. Philip Levy
(author) (
この著者で検索
)
C. D. Philip Levy
;
Ruohong Li
(author) (
この著者で検索
)
Ruohong Li
;
Iain McKenzie
(author) (
この著者で検索
)
Iain McKenzie
;
Ryan M. L. McFadden
(author) (
この著者で検索
)
Ryan M. L. McFadden
;
Gerald D. Morris
(author) (
この著者で検索
)
Gerald D. Morris
;
Matthew R. Pearson
(author) (
この著者で検索
)
Matthew R. Pearson
;
Monika Stachura
(author) (
この著者で検索
)
Monika Stachura
;
Edward Thoeng
(author) (
この著者で検索
)
Edward Thoeng
;
John O. Ticknor
(author) (
この著者で検索
)
John O. Ticknor
;
Naoki Ohashi
(author) (
この著者で検索
)
https://orcid.org/0000-0002-4011-0031
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Naoki Ohashi
;
Kenji M. Kojima
(author) (
この著者で検索
)
Kenji M. Kojima
;
W. Andrew MacFarlane
(author) (
この著者で検索
)
W. Andrew MacFarlane
キーワード
NMR
,
ZnO
刊行年月日
2022-07-25
更新時刻
2025-04-14 16:30:57 +0900
キーワード
functionally graded materials
(64)
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(57)
graphene
(44)
machine learning
(32)
2D materials
(30)
Machine learning
(25)
hexagonal boron nitride
(24)
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(22)
Spintronics
(22)
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(22)
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(18)
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(18)
diamond
(17)
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(16)
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(15)
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(15)
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(15)
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(14)
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(14)
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(14)
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(14)
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(14)
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(14)
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(14)
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(13)
microstructure
(13)
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(12)
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(12)
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(12)
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(12)
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(12)
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(12)
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(12)
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(11)
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(11)
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(11)
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(11)
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(11)
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(11)
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(11)
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(10)
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(10)
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(10)
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(10)
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(10)
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(10)
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(10)
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(10)
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(10)
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(10)
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(10)
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(9)
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(9)
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(9)
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(9)
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(9)
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(9)
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(9)
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(9)
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(9)
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(9)
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(9)
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(8)
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(8)
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(8)
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(8)
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(8)
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(8)
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(8)
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(8)
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(8)
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(8)
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(8)
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(6)
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(6)
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(5)
Self-assembly
(5)
Solution process
(5)
Spin caloritronics
(5)
Superconductors
(5)
Tin perovskite
(5)
Zeolite nanosheets
(5)
adhesive
(5)
all solid state batteries
(5)
artificial intelligence
(5)
carbon nanotube
(5)
cathodoluminescence
(5)
chirality
(5)
crystal growth
(5)
current effect
(5)
doping
(5)
electrolyte
(5)
etching
(5)
focused ion beam
(5)
hydrogen permeation
(5)
ionic liquid
(5)
laser-induced damage
(5)
lithium metal battery
(5)
magnetic field
(5)
martensitic transformation
(5)
multiferroics
(5)
permanent magnets
(5)
self-archiving
(5)
RDEメタデータ定義
RDE送り状
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