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論文・データセット
コレクション
The 28th International Workshop on Rare Earth and Future Permanent Magnets and Their Applications (REPM2025)(3)
資源タイプ
ジャーナル論文(68)
プレゼンテーション(3)
データセット(2)
会議発表ポスター(1)
報告書(1)
キーワード
DFT (4)
all solid state batteries (4)
density functional theory (4)
solid electrolytes (4)
Electrocatalysis (3)
Oxygen evolution reaction (3)
REPM2025 (3)
first-principles calculation (3)
thermoelectric (3)
Density functional theory (2)
(more)
ライセンス
Creative Commons BY Attribution 4.0 International (26)
In Copyright (22)
Creative Commons BY-NC-ND Attribution-NonCommercial-NoDerivs 4.0 International (15)
Creative Commons BY-NC Attribution-NonCommercial 4.0 International (6)
cc-by-3.0 (1)
cc-by-nc-3.0 (1)
Creative Commons BY-SA Attribution-ShareAlike 4.0 International (1)
http://creativecommons.org/publicdomain/zero/1.0/legalcode (1)
https://creativecommons.org/licenses/by-nc/3.0/legalcode (1)
ファイル種別
application/pdf (69)
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application/zip (2)
application/vnd.openxmlformats-officedocument.spreadsheetml.sheet (1)
chemical/x-cif (1)
image/jpeg (1)
text/csv (1)
video/mp4 (1)
計算手法
密度汎関数理論または電子構造 (1)
75 件のレコードが見つかりました。 1件目から10件目まで表示します。
Structural, mechanical, electronic and optical properties of N-decorated single-walled silicon carbide nanotube photocatalyst for hydrogen evolution via water splitting: a DFT study
ジャーナル論文
著者
Yahaya Saadu Itas
(author) (
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)
Bauchi State University Gadau Department of Physics
Yahaya Saadu Itas
;
Razif Razali
(author) (
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)
Universiti Teknologi Malaysia Department of Physics Faculty of Science
Razif Razali
;
Salisu Tata
(author) (
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)
Bauchi State University Gadau, Bauchi Department of Physics
Salisu Tata
;
Mohammed Kolo
(author) (
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)
Borno State University Department of Physics
Mohammed Kolo
;
Hamid Osman
(author) (
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)
Taif University College of Applied Medical Sciences
Hamid Osman
;
Abubakr M. Idris
(author) (
この著者で検索
)
https://orcid.org/0000-0003-4038-4769
(unauthenticated)
King Khalid University College of Science
Abubakr M. Idris
;
Mayeen Uddin Khandaker
(author) (
この著者で検索
)
https://orcid.org/0000-0003-3772-294X
(unauthenticated)
Sunway University Centre for Applied Physics and Radiation Technologies
Mayeen Uddin Khandaker
キーワード
Photocatalyst
,
silicon carbide nanotubes
,
water splitting
,
hydrogen energy
刊行年月日
2023-12-31
更新時刻
2025-07-16 16:16:21 +0900
Large-scale DFT calculations of multi-component glass systems (SiO2)0.70(Al2O3)0.13(XO)0.17 (X = Mg, Ca, Sr, Ba) : Accuracy of classical force fields
ジャーナル論文
著者
Atsushi Tanaka
(author) (
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)
Atsushi Tanaka
;
Atsuki Saito
(author) (
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)
Atsuki Saito
;
Takashi Murata
(author) (
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)
Takashi Murata
;
Ayako Nakata
(author) (
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)
https://orcid.org/0000-0002-3311-6283
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Ayako Nakata
;
Tsuyoshi Miyazaki
(author) (
この著者で検索
)
https://orcid.org/0000-0003-3534-4404
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Tsuyoshi Miyazaki
キーワード
Multi-component glass
,
First-principles calculations
,
Large-scale DFT
,
Classical force fields
,
Molecular dynamics simulations
刊行年月日
2023-11-25
更新時刻
2024-03-05 16:30:21 +0900
Structure and Defect Identification at Self-Assembled Islands of CO
2
Using Scanning Probe Microscopy
ジャーナル論文
著者
Oscar Custance
(author) (
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)
https://orcid.org/0000-0001-7931-603X
NIMS Researchers Directory SAMURAI
Oscar Custance
;
Emiliano Ventura-Macias
(author) (
この著者で検索
)
Emiliano Ventura-Macias
;
Oleksandr Stetsovych
(author) (
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)
Oleksandr Stetsovych
;
Carlos Romero-Muñiz
(author) (
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)
https://orcid.org/0000-0001-6902-1553
(unauthenticated)
Carlos Romero-Muñiz
;
Tomoko K. Shimizu
(author) (
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)
https://orcid.org/0000-0002-1301-0406
(unauthenticated)
Tomoko K. Shimizu
;
Pablo Pou
(author) (
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)
https://orcid.org/0000-0002-5854-8218
(unauthenticated)
Pablo Pou
;
Masayuki Abe
(author) (
この著者で検索
)
https://orcid.org/0000-0001-5619-3911
(unauthenticated)
Masayuki Abe
;
Hironobu Hayashi
(author) (
この著者で検索
)
https://orcid.org/0000-0002-7872-3052
NIMS Researchers Directory SAMURAI
Hironobu Hayashi
;
Tadakatsu Ohkubo
(author) (
この著者で検索
)
https://orcid.org/0000-0003-3548-1951
NIMS Researchers Directory SAMURAI
Tadakatsu Ohkubo
;
Shigeki Kawai
(author) (
この著者で検索
)
https://orcid.org/0000-0003-2128-0120
NIMS Researchers Directory SAMURAI
Shigeki Kawai
;
Ruben Perez
(author) (
この著者で検索
)
https://orcid.org/0000-0001-5896-541X
(unauthenticated)
Ruben Perez
キーワード
CO2 islands
,
1,4-phenylene diisocyanide
,
chirality
,
metal organic chains
,
atomic force microscopy
,
scanning tunneling microscopy
,
density functional theory
刊行年月日
2024-10-01
更新時刻
2025-09-17 08:30:31 +0900
Probing moiré Bloch bands of photoexcited electrons on graphene/Ir(111)
ジャーナル論文
著者
Ryuichi Arafune
(author) (
この著者で検索
)
https://orcid.org/0000-0003-4371-6116
NIMS Researchers Directory SAMURAI
Ryuichi Arafune
;
Hiroshi Ishida
(author) (
この著者で検索
)
https://orcid.org/0000-0003-2080-1561
(unauthenticated)
Hiroshi Ishida
;
Chun-Liang Lin
(author) (
この著者で検索
)
https://orcid.org/0000-0001-8781-3650
(unauthenticated)
Chun-Liang Lin
;
Noriaki Takagi
(author) (
この著者で検索
)
https://orcid.org/0000-0002-0799-9772
(unauthenticated)
Noriaki Takagi
キーワード
moire
,
two-photon photoemission
,
Unoccupied state
刊行年月日
2025-10-24
更新時刻
2025-10-28 12:30:42 +0900
Thermoelectric properties of marcasite-type compounds MSb
2
(M = Ta, Nb): a combined experimental and computational study
ジャーナル論文
著者
Shamim Sk
(author) (
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)
Shamim Sk
;
Naoki Sato
(author) (
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)
https://orcid.org/0000-0002-6429-0591
NIMS Researchers Directory SAMURAI
Naoki Sato
;
Takao Mori
(author) (
この著者で検索
)
https://orcid.org/0000-0003-2682-1846
NIMS Researchers Directory SAMURAI
Takao Mori
キーワード
Thermoelectric properties
,
density functional theory
,
electronic structure
,
electron and hole pockets
,
semi-classical Boltzmann theory
,
power factor
刊行年月日
2025-03-31
更新時刻
2026-02-18 12:30:04 +0900
Calculated crystal structures of formamidinium–lead–chloride–dimethyl sulfoxide and related compounds
データセット
著者
Noriko Saito
(author) (
この著者で検索
)
https://orcid.org/0000-0002-8104-0172
Research Center for Functional Materials/Electric and Electronic Materials Field/Ceramics Surface and Interface Group
NIMS Researchers Directory SAMURAI
Noriko Saito
;
Yoshitaka Matsushita
(author) (
この著者で検索
)
https://orcid.org/0000-0002-4968-8905
Research Network and Facility Services Division/Materials Analysis Station
NIMS Researchers Directory SAMURAI
Yoshitaka Matsushita
;
Takeo Ohsawa
(author) (
この著者で検索
)
https://orcid.org/0000-0001-7528-8940
Research Center for Functional Materials/Electric and Electronic Materials Field/Electroceramics Group
NIMS Researchers Directory SAMURAI
Takeo Ohsawa
;
Hiroyo Segawa
(author) (
この著者で検索
)
https://orcid.org/0000-0002-7198-8410
Research Center for Functional Materials/Electric and Electronic Materials Field/Electroceramics Group
NIMS Researchers Directory SAMURAI
Hiroyo Segawa
;
Naoki Ohashi
(author) (
この著者で検索
)
https://orcid.org/0000-0002-4011-0031
Research Center for Functional Materials/Electric and Electronic Materials Field/Electroceramics Group
NIMS Researchers Directory SAMURAI
Naoki Ohashi
キーワード
hybrid halide
,
formamidinium
,
dimethyl sulfoxide (DMSO)
,
lead halide
刊行年月日
2022-11-03
更新時刻
2024-01-05 22:13:14 +0900
Perovskite CoSn(OH)
6
nanocubes with tuned d-band states towards enhanced oxygen evolution reactions
ジャーナル論文
著者
Mingwei Sun
(author) (
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)
Mingwei Sun
;
Baopeng Yang
(author) (
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)
Baopeng Yang
;
Jiaxing Yan
(author) (
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)
Jiaxing Yan
;
Yulong Zhou
(author) (
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)
Yulong Zhou
;
Zhencong Huang
(author) (
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)
Zhencong Huang
;
Ning Zhang
(author) (
この著者で検索
)
https://orcid.org/0000-0002-3033-0276
(unauthenticated)
Ning Zhang
;
Rong Mo
(author) (
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)
Rong Mo
;
Renzhi Ma
(author) (
この著者で検索
)
https://orcid.org/0000-0001-7126-2006
NIMS Researchers Directory SAMURAI
Renzhi Ma
キーワード
Metal hydroxide
,
Electrocatalysis
,
Oxygen evolution reaction
刊行年月日
2024-05-02
更新時刻
2025-05-02 08:30:18 +0900
Computational discovery of stable Na-ion sulfide solid electrolytes with high conductivity at room temperature
ジャーナル論文
著者
Seong-Hoon Jang
(author) (
この著者で検索
)
https://orcid.org/0000-0001-6026-636X
(unauthenticated)
Seong-Hoon Jang
;
Randy Jalem
(author) (
この著者で検索
)
https://orcid.org/0000-0001-9505-771X
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Randy Jalem
;
Yoshitaka Tateyama
(author) (
この著者で検索
)
https://orcid.org/0000-0002-5532-6134
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Yoshitaka Tateyama
キーワード
all solid state batteries
,
solid electrolytes
,
high-throughput first-principles calculation
,
computational materials search
,
machine learning
,
sodium ion conductors
刊行年月日
2024-08-05
更新時刻
2024-10-10 16:30:52 +0900
Numerical atomic basis orbitals from H to Kr
ジャーナル論文
著者
T. Ozaki
(author) (
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)
T. Ozaki
;
H. Kino
(author) (
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)
https://orcid.org/0000-0002-8912-686X
National Institute for Materials Science
H. Kino
キーワード
OpenMX
,
first-principles calculation
,
DFT
,
LCAO
,
numerical atomic basis
,
benchmark
,
molecules
,
bulks
刊行年月日
2004-05-28
更新時刻
2024-01-05 22:11:39 +0900
Regulation of Grain Boundary Structure in NdFeCoB Magnets through Grain Boundary Diffusion of DyAlCu Alloy
会議発表ポスター
コレクション
The 28th International Workshop on Rare Earth and Future Permanent Magnets and Their Applications (REPM2025)
著者
Shengzhi Dong
(author) (
この著者で検索
)
Central lron & Steel Research Institute, China
Shengzhi Dong
;
Haibo Feng
(author) (
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)
Central lron & Steel Research Institute, China
Haibo Feng
;
Jing Liu
(author) (
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)
Central lron & Steel Research Institute, China
Jing Liu
;
Jiateng Zhang
(author) (
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)
Central lron & Steel Research Institute, China
Jiateng Zhang
;
Wei Li
(author) (
この著者で検索
)
Central lron & Steel Research Institute, China
Wei Li
キーワード
REPM2025
,
Grain Boundary Diffusion
,
NdFeCoB Magnet
,
Nd2Co17
,
Coercivity
,
Low melting-point alloy
刊行年月日
更新時刻
2025-09-11 16:30:41 +0900
キーワード
DFT
(4)
all solid state batteries
(4)
density functional theory
(4)
solid electrolytes
(4)
Electrocatalysis
(3)
Oxygen evolution reaction
(3)
REPM2025
(3)
first-principles calculation
(3)
thermoelectric
(3)
Density functional theory
(2)
Graphene
(2)
Large-scale DFT
(2)
Metal hydroxide
(2)
Thermoelectric properties
(2)
ZnAl2O4
(2)
chirality
(2)
electronic properties
(2)
hexagonal boron nitride
(2)
machine learning
(2)
molecular dynamics simulations
(2)
scanning tunneling microscopy
(2)
Anti-counterfeiting
(1)
Mn2+
(1)
1,4-phenylene diisocyanide
(1)
2D Materials
(1)
2D ferromagnets
(1)
5d transition-metal oxides
(1)
Acetylene hydrogenation
(1)
Adsorption energy
(1)
Al-Cu-Fe
(1)
Anharmonicity
(1)
Anion exchange membrane water electrolyzer
(1)
Antiferromagnetic (AFM)
(1)
Antiperovskite
(1)
Aqueous organic redox flow batteries
(1)
Arene
(1)
B2
(1)
B2C2
(1)
Ba1.75LiH2.7O0.9
(1)
Battery
(1)
Bayesian optimization
(1)
BiCrO3
(1)
Biaryl
(1)
Bimetallic catalyst
(1)
Binders
(1)
Broadband emission
(1)
C-H bond activation
(1)
CO2 islands
(1)
Carbon catalyst
(1)
Catalytic activity
(1)
Chemical unit co-substitution
(1)
Classical force fields
(1)
Coercivity
(1)
Curie temperature
(1)
Cyclodextrin
(1)
DFT calculations
(1)
Decarbonization
(1)
Defect clusters
(1)
Deformation mechanism
(1)
Density functional theory (DFT)
(1)
Density functional theory, First-principle calculations, Hall effect, Ferromagnetism, Magnetism, Electronic band structure, Superlattices, Thermoelectricity
(1)
Dirac bands
(1)
Distorted site
(1)
Double perovskites
(1)
Electric double layer
(1)
Electrides
(1)
Electrocatalysts
(1)
Element alloys (HCP-MPEAs)
(1)
Equiaxed HCP phase
(1)
Ether electrolyte
(1)
Excess electrons
(1)
Fe3GeTe2/graphene
(1)
Fe5GeTe2
(1)
FeAl alloy
(1)
First-principles calculation
(1)
First-principles calculations
(1)
Fluorescence spectra
(1)
Four-phonon scattering
(1)
Fuel cells
(1)
GPT
(1)
Generative model
(1)
Grain Boundary Diffusion
(1)
Hard X-ray electron spectroscopy
(1)
Heterostructure
(1)
Hexagonal close-packed-multi-principal
(1)
Hierarchical MoS2
(1)
High voltage
(1)
High-temperature strength
(1)
Honeycomb lattice
(1)
In-situ Raman analysis
(1)
Intermediates identification
(1)
Kagome lattice
(1)
LCAO
(1)
Layered double hydroxide
(1)
Lithium metal battery
(1)
Low melting-point alloy
(1)
Low-temperature
(1)
MAB Magnets
(1)
MOCVD
(1)
MXene
(1)
Magnetocaloric effectg
(1)
Mn4+
(1)
MoTe2
(1)
Molecular dynamics
(1)
Molecular dynamics simulations
(1)
Multi-component glass
(1)
Multimode luminescence
(1)
Multipolar exchange interactions
(1)
Muon spin relaxation
(1)
NIR
(1)
NIR LED
(1)
NIR emission
(1)
Nanosheets
(1)
Nd-Fe-B magnet
(1)
Nd2Co17
(1)
Nd2Fe14B
(1)
NdFeCoB Magnet
(1)
Near-infrared luminescence
(1)
Near-infrared persistent luminescence
(1)
Neutron scattering
(1)
Non-equivalent crystallographic site
(1)
O2 absorption
(1)
OpenMX
(1)
Optoelectronic
(1)
Oxidative coupling
(1)
Oxygen defects
(1)
Oxygen reduction reaction
(1)
Palladium
(1)
Pentagon
(1)
Photocatalysis
(1)
Photocatalyst
(1)
Photochromic film
(1)
Poisoning
(1)
Prediction
(1)
Pt
(1)
Pt–C core-shell
(1)
Quasicrystal
(1)
Quasicrystal approximant
(1)
Reversible reaction
(1)
Ruthenium
(1)
SMILES
(1)
STM
(1)
Scanning near-field optical microscopy (s-SNOM)
(1)
Schiff base formation
(1)
Self-consistent phonon theory
(1)
Spin
(1)
Spin polarization
(1)
Spin–orbit coupling
(1)
Superionic conductivity
(1)
Supramolecular Microstructure
(1)
Surface plasmon polaritons (SPPs)
(1)
Tetracycline degradation
(1)
Thermal conductivity
(1)
Thermomechanical processing
(1)
Transition metal dichalcogenides
(1)
Tungsten oxide hybrid composite
(1)
Unoccupied state
(1)
Vacancy defect
(1)
WSe2
(1)
Z-scheme heterojunction
(1)
alloy
(1)
aqueous and vapor phase detection
(1)
atomic force microscopy
(1)
benchmark
(1)
beta-MnO2
(1)
boride
(1)
boron
(1)
bulks
(1)
carbon
(1)
catalyst
(1)
cathode coatings
(1)
chemical treatment
(1)
chromophore
(1)
computational materials search
(1)
conversion polymorphism
(1)
coordination polymer
(1)
core-shell alloy nanostructure
(1)
crystal growth orientation
(1)
defect control
(1)
degradation
(1)
dehyde
(1)
density of states
(1)
deposition
(1)
dihydrophenazines
(1)
dimethyl sulfoxide (DMSO)
(1)
doped BiFeO3
(1)
doping
(1)
drug
(1)
durability
(1)
dynamic behaviour
(1)
electrolysis
(1)
electron and hole pockets
(1)
electron paramagnetic resonance
(1)
electronic structure
(1)
energy
(1)
energy decomposition analysis
(1)
first-principles calculations
(1)
flat bands
(1)
flexibility
(1)
fluorometric sensing
(1)
RDEメタデータ定義
RDE送り状
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1
2
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5
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絞り込み
コレクション
The 28th International Workshop on Rare Earth and Future Permanent Magnets and Their Applications (REPM2025)(3)
資源タイプ
ジャーナル論文(68)
プレゼンテーション(3)
データセット(2)
会議発表ポスター(1)
報告書(1)
キーワード
DFT (4)
all solid state batteries (4)
density functional theory (4)
solid electrolytes (4)
Electrocatalysis (3)
Oxygen evolution reaction (3)
REPM2025 (3)
first-principles calculation (3)
thermoelectric (3)
Density functional theory (2)
(more)
ライセンス
Creative Commons BY Attribution 4.0 International (26)
In Copyright (22)
Creative Commons BY-NC-ND Attribution-NonCommercial-NoDerivs 4.0 International (15)
Creative Commons BY-NC Attribution-NonCommercial 4.0 International (6)
cc-by-3.0 (1)
cc-by-nc-3.0 (1)
Creative Commons BY-SA Attribution-ShareAlike 4.0 International (1)
http://creativecommons.org/publicdomain/zero/1.0/legalcode (1)
https://creativecommons.org/licenses/by-nc/3.0/legalcode (1)
ファイル種別
application/pdf (69)
application/vnd.openxmlformats-officedocument.wordprocessingml.document (5)
application/zip (2)
application/vnd.openxmlformats-officedocument.spreadsheetml.sheet (1)
chemical/x-cif (1)
image/jpeg (1)
text/csv (1)
video/mp4 (1)
計算手法
密度汎関数理論または電子構造 (1)