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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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2945 件のレコードが見つかりました。
Toward the Atomic-Level Analysis of Ground-State Electronic Structures of Solid Materials via Prediction from Core-Loss Spectra: A Computational Study in Si
ジャーナル論文
著者
Izumi Takahara
(author) (
この著者で検索
)
Izumi Takahara
;
Fumihiko Uesugi
(author) (
この著者で検索
)
https://orcid.org/0000-0003-3346-4218
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Fumihiko Uesugi
;
Koji Kimoto
(author) (
この著者で検索
)
https://orcid.org/0000-0002-3927-0492
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Koji Kimoto
;
Kiyou Shibata
(author) (
この著者で検索
)
Kiyou Shibata
;
Teruyasu Mizoguchi
(author) (
この著者で検索
)
Teruyasu Mizoguchi
キーワード
Machine learning
,
ELNES
,
XANES
,
PDOS
刊行年月日
2024-08-15
更新時刻
2024-10-02 12:30:19 +0900
High-throughput dry transfer and excitonic properties of twisted bilayers based on CVD-grown transition metal dichalcogenides
ジャーナル論文
著者
Hibiki Naito
(author) (
この著者で検索
)
Hibiki Naito
;
Yasuyuki Makino
(author) (
この著者で検索
)
Yasuyuki Makino
;
Wenjin Zhang
(author) (
この著者で検索
)
Wenjin Zhang
;
Tomoya Ogawa
(author) (
この著者で検索
)
Tomoya Ogawa
;
Takahiko Endo
(author) (
この著者で検索
)
Takahiko Endo
;
Takumi Sannomiya
(author) (
この著者で検索
)
Takumi Sannomiya
;
Masahiko Kaneda
(author) (
この著者で検索
)
Masahiko Kaneda
;
Kazuki Hashimoto
(author) (
この著者で検索
)
Kazuki Hashimoto
;
Hong En Lim
(author) (
この著者で検索
)
Hong En Lim
;
Yusuke Nakanishi
(author) (
この著者で検索
)
Yusuke Nakanishi
;
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
;
Kazunari Matsuda
(author) (
この著者で検索
)
Kazunari Matsuda
;
Yasumitsu Miyata
(author) (
この著者で検索
)
Yasumitsu Miyata
キーワード
van der Waals layered materials
,
chemical vapor deposition
,
twisted multilayers
刊行年月日
2023-09-04
更新時刻
2025-02-15 12:30:41 +0900
J-dimers of phthalocyanine analogues: structural characterization and their use for determination of association constants between ligands and the central cation
ジャーナル論文
著者
Jiri Demuth
(author) (
この著者で検索
)
https://orcid.org/0000-0001-6847-768X
(unauthenticated)
Jiri Demuth
;
Stefan Bednarik
(author) (
この著者で検索
)
Stefan Bednarik
;
Radek Machan
(author) (
この著者で検索
)
Radek Machan
;
Ivan Mocak
(author) (
この著者で検索
)
Ivan Mocak
;
Tibor Malinsky
(author) (
この著者で検索
)
Tibor Malinsky
;
Mona Abo El Dahabova
(author) (
この著者で検索
)
Mona Abo El Dahabova
;
Jakub Holcak
(author) (
この著者で検索
)
Jakub Holcak
;
Miroslav Miletin
(author) (
この著者で検索
)
https://orcid.org/0000-0001-6924-5960
(unauthenticated)
Miroslav Miletin
;
Jan Labuta
(author) (
この著者で検索
)
https://orcid.org/0000-0002-8329-0634
NIMS Researchers Directory SAMURAI
Jan Labuta
;
Veronika Novakova
(author) (
この著者で検索
)
https://orcid.org/0000-0002-2183-1220
(unauthenticated)
Veronika Novakova
;
Petr Zimcik
(author) (
この著者で検索
)
https://orcid.org/0000-0002-3533-3601
(unauthenticated)
Petr Zimcik
キーワード
phthalocyanine
,
J-dimers
,
supramolecular system
,
association constant
,
ligand
刊行年月日
2024-12-31
更新時刻
2025-02-13 12:30:44 +0900
Significance of homogeneous operation in light-assisted fixed-bed bioprocess under ammonia stress: Optimization, long-term operation and metagenomic analysis
ジャーナル論文
著者
Yunxin Zhu
(author) (
この著者で検索
)
School of Life and Environmental Sciences Degree Programs in Life and Earth Sciences Faculty of Life and Environmental Sciences, University of Tsukuba
Yunxin Zhu
;
YuJia Chen
(author) (
この著者で検索
)
School of Life and Environmental Sciences Degree Programs in Life and Earth Sciences Faculty of Life and Environmental Sciences, University of Tsukuba
YuJia Chen
;
Guangqi An
(author) (
この著者で検索
)
National Institute for Materials Science Research Center for Macromolecules and Biomaterials/Biomaterials Field/Tissue Regeneration Materials Group
Guangqi An
;
Cheng Zhang
(author) (
この著者で検索
)
School of Life and Environmental Sciences Degree Programs in Life and Earth Sciences Faculty of Life and Environmental Sciences, University of Tsukuba
Cheng Zhang
;
Jingwei Yang
(author) (
この著者で検索
)
School of Life and Environmental Sciences Degree Programs in Life and Earth Sciences Faculty of Life and Environmental Sciences, University of Tsukuba
Jingwei Yang
;
Rongyong Yang
(author) (
この著者で検索
)
Shanghai High Victory Science and Technology Co., Ltd.
Rongyong Yang
;
Guoping Chen
(author) (
この著者で検索
)
https://orcid.org/0000-0001-6753-3678
National Institute for Materials Science Research Center for Macromolecules and Biomaterials/Biomaterials Field/Tissue Regeneration Materials Group
NIMS Researchers Directory SAMURAI
Guoping Chen
;
Yingnan Yang
(author) (
この著者で検索
)
School of Life and Environmental Sciences Degree Programs in Life and Earth Sciences Faculty of Life and Environmental Sciences, University of Tsukuba
Yingnan Yang
キーワード
Light-assisted anaerobic digestion (AD), Ammonia inhibition, Homogenous operation, Pilot-scale evaluation, Bioinformatics analysis
刊行年月日
2024-03-11
更新時刻
2026-03-11 16:30:07 +0900
Binder‐induced inorganic‐rich solid electrolyte interphase and physicochemical dual cross‐linked network for high‐performance SiO
x
anode
ジャーナル論文
著者
Gang Wu
(author) (
この著者で検索
)
Gang Wu
;
Yuanhang Gao
(author) (
この著者で検索
)
Yuanhang Gao
;
Zheng Weng
(author) (
この著者で検索
)
Zheng Weng
;
Zhicheng Zheng
(author) (
この著者で検索
)
Zhicheng Zheng
;
Wenqiang Fan
(author) (
この著者で検索
)
Wenqiang Fan
;
Anqiang Pan
(author) (
この著者で検索
)
Anqiang Pan
;
Ning Zhang
(author) (
この著者で検索
)
Ning Zhang
;
Xiaohe Liu
(author) (
この著者で検索
)
Xiaohe Liu
;
Renzhi Ma
(author) (
この著者で検索
)
https://orcid.org/0000-0001-7126-2006
NIMS Researchers Directory SAMURAI
Renzhi Ma
;
Gen Chen
(author) (
この著者で検索
)
Gen Chen
キーワード
Lithium‐ion batteries
,
Solid electrolyte interphase (SEI)
,
Silicon oxide anode
刊行年月日
2024-08-22
更新時刻
2024-10-25 16:30:37 +0900
Different Local Structures of Mo and Nb Polyhedra in the Oxide-Ion-Conducting Hexagonal Perovskite-Related Oxide Ba
3
MoNbO
8.5
Revealed by
95
Mo and
93
Nb NMR Measurements
ジャーナル論文
著者
Masataka Tansho
(author) (
この著者で検索
)
https://orcid.org/0000-0001-7986-3199
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Masataka Tansho
;
Atsushi Goto
(author) (
この著者で検索
)
https://orcid.org/0000-0002-9472-4098
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Atsushi Goto
;
Shinobu Ohki
(author) (
この著者で検索
)
https://orcid.org/0000-0002-7357-3833
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Shinobu Ohki
;
Yuuki Mogami
(author) (
この著者で検索
)
https://orcid.org/0000-0002-9807-3165
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Yuuki Mogami
;
Yuichi Sakuda
(author) (
この著者で検索
)
Yuichi Sakuda
;
Yuta Yasui
(author) (
この著者で検索
)
Yuta Yasui
;
Taito Murakami
(author) (
この著者で検索
)
Taito Murakami
;
Kotaro Fujii
(author) (
この著者で検索
)
Kotaro Fujii
;
Takahiro Iijima
(author) (
この著者で検索
)
Takahiro Iijima
;
Masatomo Yashima
(author) (
この著者で検索
)
Masatomo Yashima
キーワード
Fuel Cell
,
Gas Sensor
,
Oxygen Separation
刊行年月日
2022-08-11
更新時刻
2024-12-23 09:18:21 +0900
Strength-limiting defects evolved from heterogeneities during the sintering of high-purity submicron alumina powder
ジャーナル論文
著者
Gaku Okuma
(author) (
この著者で検索
)
https://orcid.org/0000-0002-2997-9166
National Institute for Materials Science Research Center for Structural Materials/Materials Manufacturing Field/Ceramic Matrix Composites Group
NIMS Researchers Directory SAMURAI
Gaku Okuma
;
Tsukasa Shimizugawa
(author) (
この著者で検索
)
Yokohama National University
Tsukasa Shimizugawa
;
Shingo Ozaki
(author) (
この著者で検索
)
Yokohama National University
Shingo Ozaki
;
Toshio Osada
(author) (
この著者で検索
)
https://orcid.org/0000-0003-1539-9264
National Institute for Materials Science Research Center for Structural Materials/Materials Manufacturing Field/High-Reliability Heat-Resistant Materials Group
NIMS Researchers Directory SAMURAI
Toshio Osada
;
Shingo Machida
(author) (
この著者で検索
)
JFCC
Shingo Machida
;
Yutaro Arai
(author) (
この著者で検索
)
Tokyo university of science
Yutaro Arai
;
Ryo Inoue
(author) (
この著者で検索
)
Tokyo university of science
Ryo Inoue
;
Hideki Kakisawa
(author) (
この著者で検索
)
https://orcid.org/0000-0002-7448-0989
National Institute for Materials Science Research Center for Structural Materials/Materials Manufacturing Field/Ceramic Matrix Composites Group
NIMS Researchers Directory SAMURAI
Hideki Kakisawa
;
Yuki Sada
(author) (
この著者で検索
)
Japan Synchrotron Radiation Research Institute (JASRI)
Yuki Sada
;
Masayuki Uesugi
(author) (
この著者で検索
)
Japan Synchrotron Radiation Research Institute (JASRI)
Masayuki Uesugi
;
Akihisa Takeuchi
(author) (
この著者で検索
)
Japan Synchrotron Radiation Research Institute (JASRI)
Akihisa Takeuchi
;
Fumihiro Wakai
(author) (
この著者で検索
)
https://orcid.org/0000-0002-8391-139X
National Institute for Materials Science Research Center for Structural Materials/Materials Manufacturing Field/Ceramic Matrix Composites Group
NIMS Researchers Directory SAMURAI
Fumihiro Wakai
キーワード
Sintering
,
Synchrotron X-ray tomography
,
Microstructure
,
Defects
,
Fracture
刊行年月日
2025-07-16
更新時刻
2025-07-23 12:30:20 +0900
Selective inhibition of partial EMT-induced tumour cell growth by cerium valence states of extracellular ceria nanoparticles for anticancer treatment
ジャーナル論文
著者
Tamaki Naganuma
(author) (
この著者で検索
)
https://orcid.org/0000-0002-5836-8647
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Tamaki Naganuma
キーワード
Partial-EMT
,
Metal valence states
,
Nanoparticles
,
Mesenchymal phenotype
,
Non-redox mechanism
,
Anticancer treatment
刊行年月日
2024-02-09
更新時刻
2026-02-28 17:53:59 +0900
Impact of Lipid Bilayer Composition and Physicochemical Properties on Constitution of a Transmembrane Helical Peptide into Exosome-Mimetic Vesicles
ジャーナル論文
著者
Shiho Tsutsumi
(author) (
この著者で検索
)
https://orcid.org/0009-0006-8089-6477
(unauthenticated)
Shiho Tsutsumi
;
Yuki Takechi-Haraya
(author) (
この著者で検索
)
https://orcid.org/0000-0002-8754-6457
(unauthenticated)
Yuki Takechi-Haraya
;
Yasuhiro Abe
(author) (
この著者で検索
)
https://orcid.org/0000-0002-5931-6590
(unauthenticated)
Yasuhiro Abe
;
Kohsaku Kawakami
(author) (
この著者で検索
)
https://orcid.org/0000-0002-3466-9365
NIMS Researchers Directory SAMURAI
Kohsaku Kawakami
キーワード
Exosomes
,
Exosome mimetic vesicles
,
lipid membrane
,
helical peptide
刊行年月日
2025-11-03
更新時刻
2025-11-25 12:30:04 +0900
Nonequilibrium Layered PbS Stabilized by Sn Doping: Bipolar Semiconductors with Low Thermal Conductivity
ジャーナル論文
著者
Mari Hiramatsu
(author) (
この著者で検索
)
Mari Hiramatsu
;
Zhongxu Hu
(author) (
この著者で検索
)
Zhongxu Hu
;
Sakura Yoshikawa
(author) (
この著者で検索
)
Sakura Yoshikawa
;
Zan Yang
(author) (
この著者で検索
)
Zan Yang
;
Xinyi He
(author) (
この著者で検索
)
Xinyi He
;
Takayoshi Katase
(author) (
この著者で検索
)
Takayoshi Katase
;
Jun-ichi Yamaura
(author) (
この著者で検索
)
Jun-ichi Yamaura
;
Hajime Sagayama
(author) (
この著者で検索
)
Hajime Sagayama
;
Terumasa Tadano
(author) (
この著者で検索
)
https://orcid.org/0000-0002-8132-2161
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Terumasa Tadano
;
Shigenori Ueda
(author) (
この著者で検索
)
https://orcid.org/0000-0001-9425-0614
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Shigenori Ueda
;
Hidenori Hiramatsu
(author) (
この著者で検索
)
Hidenori Hiramatsu
;
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
;
Toshio Kamiya
(author) (
この著者で検索
)
Toshio Kamiya
キーワード
Thermal conductivity
,
chalcogenide
,
nonequilibrium synthesis
,
carrier doping
,
carrier transport property
,
thermoelectric property
刊行年月日
2024-11-26
更新時刻
2025-11-08 08:30:28 +0900
キーワード
functionally graded materials
(64)
thermoelectric
(57)
graphene
(44)
machine learning
(32)
2D materials
(30)
Machine learning
(25)
hexagonal boron nitride
(24)
Diamond
(22)
Spintronics
(22)
transmission electron microscopy
(22)
Ga2O3
(18)
MoS2
(18)
diamond
(17)
nanomechanical sensors
(16)
GaN
(15)
X-ray diffraction
(15)
atom probe tomography
(15)
Graphene
(14)
Superconductivity
(14)
fiber fuse
(14)
photoluminescence
(14)
scanning tunneling microscopy
(14)
spintronics
(14)
thermal conductivity
(14)
WSe2
(13)
microstructure
(13)
HVPE
(12)
MEMS
(12)
density functional theory
(12)
gallium nitride
(12)
materials informatics
(12)
optical fiber
(12)
transition metal dichalcogenides
(12)
CALPHAD
(11)
Hydrogen
(11)
IMFP
(11)
Microstructure
(11)
bilayer graphene
(11)
nanoarchitectonics
(11)
organic semiconductor
(11)
DFT
(10)
GaAs
(10)
Nb3Sn
(10)
Transition metal dichalcogenides
(10)
Van der Waals heterostructures
(10)
crystal structure
(10)
dislocation
(10)
interface
(10)
magnetism
(10)
spark plasma sintering
(10)
van der Waals heterostructures
(10)
Magnetic tunnel junction
(9)
Moiré superlattices
(9)
NMR
(9)
Oxide
(9)
REPM2025
(9)
anomalous Hall effect
(9)
anomalous Nernst effect
(9)
luminescence
(9)
self-assembly
(9)
semiconductor
(9)
superconductivity
(9)
Bilayer graphene
(8)
Hexagonal boron nitride
(8)
Josephson junction
(8)
Liquid marble
(8)
Luminescence
(8)
Nanoarchitectonics
(8)
Tunnel magnetoresistance
(8)
band structure
(8)
electronic structure
(8)
first-principles calculation
(8)
magnetic properties
(8)
mechanical properties
(8)
neutron diffraction
(8)
phosphor
(8)
scanning transmission electron microscopy
(8)
α-Ga2O3
(8)
Additive manufacturing
(7)
Excitons
(7)
FePt
(7)
HAXPES
(7)
Heusler alloys
(7)
Magnetism
(7)
Mechanobiology
(7)
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(7)
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(7)
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(7)
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(7)
PoLyInfo
(7)
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(7)
Superconducting joint
(7)
Thermal conductivity
(7)
carbon
(7)
chemical vapor deposition
(7)
electron microscopy
(7)
excitons
(7)
fullerene
(7)
high-pressure synthesis
(7)
hydrogen
(7)
inelastic mean free path
(7)
interlayer excitons
(7)
nanoindentation
(7)
optical properties
(7)
permanent magnet
(7)
phase diagram
(7)
phase transition
(7)
superconductor
(7)
3D printing
(6)
BIC
(6)
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(6)
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(6)
ELO
(6)
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(6)
Glass
(6)
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(6)
NV center
(6)
Neutron diffraction
(6)
Perovskite Solar Cells
(6)
Structure
(6)
Thin films
(6)
Twisted bilayer graphene
(6)
X-ray photoelectron spectroscopy
(6)
active learning
(6)
carbon nanotubes
(6)
catalyst
(6)
critical current
(6)
electron inelastic mean free paths
(6)
ferromagnetism
(6)
flexural strength
(6)
glass
(6)
high pressure
(6)
lithium oxygen battery
(6)
nanowire
(6)
on-surface synthesis
(6)
phonon
(6)
supercapacitor
(6)
surface
(6)
thermoelectric materials
(6)
thin films
(6)
transverse thermoelectric conversion
(6)
van der Waals heterostructure
(6)
van der Waals materials
(6)
β-Ga2O3
(6)
Bayesian optimization
(5)
Boron-doped diamond
(5)
Ceramics
(5)
Colloidal suspensions
(5)
Device stability
(5)
Dielectric nanofilms
(5)
Droplet Epitaxy
(5)
EBSD
(5)
Electrocatalysis
(5)
Energy conversion & storage
(5)
Exfoliation
(5)
Fine Structure Splitting
(5)
First-principles calculation
(5)
Heusler alloy
(5)
Hydrogen embrittlement
(5)
Josephson junctions
(5)
Machine Learning
(5)
Magic-angle twisted bilayer graphene
(5)
Magnetic material
(5)
Magnetoresistance
(5)
Membrane-type Surface stress Sensor (MSS)
(5)
Multilayer films
(5)
Neuromorphic computing
(5)
Oxide nanosheets
(5)
Photocatalyst
(5)
Photoluminescence
(5)
Quantum Hall effect
(5)
Reservoir computing
(5)
Seed layer for heteroepitaxy
(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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