メニュー
MDRについて
ヘルプ
お問い合わせ
Switch language
日本語
English
ログイン
ログイン
Search MDR
Home
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)
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)
75 件のレコードが見つかりました。 11件目から20件目まで表示します。
Theoretical search for characteristic atoms in supported gold nanoparticles: a large-scale DFT study
ジャーナル論文
著者
Shengzhou Li
(author) (
この著者で検索
)
https://orcid.org/0000-0001-6973-3825
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Shengzhou Li
;
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
;
Ayako Nakata
(author) (
この著者で検索
)
https://orcid.org/0000-0002-3311-6283
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Ayako Nakata
キーワード
Large-scale DFT
,
gold nanoparticle
,
supported nanoparticle
,
statistic analysis
,
density of states
,
principal component analysis
,
first-principles calculation
刊行年月日
2024-06-21
更新時刻
2024-08-31 08:30:29 +0900
An efficient cathode electrocatalyst for anion exchange membrane water electrolyzer
ジャーナル論文
著者
Shanmugam Ramakrishnan
(author) (
この著者で検索
)
Shanmugam Ramakrishnan
;
Subramanian Vijayapradeep
(author) (
この著者で検索
)
Subramanian Vijayapradeep
;
Selva Chandrasekaran Selvaraj
(author) (
この著者で検索
)
https://orcid.org/0000-0002-9023-4075
(unauthenticated)
National Institute for Materials Science
Selva Chandrasekaran Selvaraj
;
Jian Huang
(author) (
この著者で検索
)
Jian Huang
;
S.C. Karthikeyan
(author) (
この著者で検索
)
S.C. Karthikeyan
;
Rambabu Gutru
(author) (
この著者で検索
)
Rambabu Gutru
;
Natarajan Logeshwaran
(author) (
この著者で検索
)
Natarajan Logeshwaran
;
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
;
Mohamed Mamlouk
(author) (
この著者で検索
)
Mohamed Mamlouk
;
Dong Jin Yoo
(author) (
この著者で検索
)
Dong Jin Yoo
キーワード
Hierarchical MoS2
,
Pt–C core-shell
,
Density functional theory
,
In-situ Raman analysis
,
Anion exchange membrane water electrolyzer
刊行年月日
2024-01-15
更新時刻
2024-03-04 16:30:11 +0900
Direct Visualization of the Charge Transfer in a Graphene/α-RuCl
3
Heterostructure via Angle-Resolved Photoemission Spectroscopy
ジャーナル論文
著者
Antonio Rossi
(author) (
この著者で検索
)
Antonio Rossi
;
Cameron Johnson
(author) (
この著者で検索
)
Cameron Johnson
;
Jesse Balgley
(author) (
この著者で検索
)
Jesse Balgley
;
John C. Thomas
(author) (
この著者で検索
)
John C. Thomas
;
Luca Francaviglia
(author) (
この著者で検索
)
Luca Francaviglia
;
Riccardo Dettori
(author) (
この著者で検索
)
Riccardo Dettori
;
Andreas K. Schmid
(author) (
この著者で検索
)
Andreas K. Schmid
;
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
;
Matthew Cothrine
(author) (
この著者で検索
)
Matthew Cothrine
;
David G. Mandrus
(author) (
この著者で検索
)
David G. Mandrus
;
Chris Jozwiak
(author) (
この著者で検索
)
Chris Jozwiak
;
Aaron Bostwick
(author) (
この著者で検索
)
Aaron Bostwick
;
Erik A. Henriksen
(author) (
この著者で検索
)
Erik A. Henriksen
;
Alexander Weber-Bargioni
(author) (
この著者で検索
)
Alexander Weber-Bargioni
;
Eli Rotenberg
(author) (
この著者で検索
)
Eli Rotenberg
キーワード
Graphene
,
α-ruthenium trichloride
,
electronic properties
刊行年月日
2023-09-13
更新時刻
2025-02-26 12:31:14 +0900
Regulating electric double layer in non-fluorinated ether electrolyte enables high-voltage and low-temperature lithium metal batteries
ジャーナル論文
著者
Renfei Zhao
(author) (
この著者で検索
)
Renfei Zhao
;
Yuanhang Gao
(author) (
この著者で検索
)
Yuanhang Gao
;
Zuosu Qin
(author) (
この著者で検索
)
Zuosu Qin
;
Yuelin Li
(author) (
この著者で検索
)
Yuelin Li
;
Tao Zhang
(author) (
この著者で検索
)
Tao Zhang
;
Anqiang Pan
(author) (
この著者で検索
)
Anqiang Pan
;
Ning Zhang
(author) (
この著者で検索
)
Ning Zhang
;
Renzhi Ma
(author) (
この著者で検索
)
https://orcid.org/0000-0001-7126-2006
NIMS Researchers Directory SAMURAI
Renzhi Ma
;
Xiaohe Liu
(author) (
この著者で検索
)
Xiaohe Liu
;
Gen Chen
(author) (
この著者で検索
)
Gen Chen
キーワード
Lithium metal battery
,
Ether electrolyte
,
Electric double layer
,
High voltage
,
Low-temperature
刊行年月日
2025-04-16
更新時刻
2025-09-11 08:30:25 +0900
Effects of elemental substitution on catalytic properties of Tsai-type 1/1 quasicrystal approximants for acetylene hydrogenation
ジャーナル論文
著者
Haruka Yoshikawa
(author) (
この著者で検索
)
Haruka Yoshikawa
;
Ya Xu
(author) (
この著者で検索
)
https://orcid.org/0000-0001-9067-5244
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Ya Xu
;
Farid Labib
(author) (
この著者で検索
)
Farid Labib
;
Satoshi Kameoka
(author) (
この著者で検索
)
Satoshi Kameoka
;
Ryuji Tamura
(author) (
この著者で検索
)
Ryuji Tamura
キーワード
Acetylene hydrogenation
,
Quasicrystal approximant
,
Hard X-ray electron spectroscopy
,
Density functional theory
,
Catalytic activity
,
Non-equivalent crystallographic site
,
Adsorption energy
刊行年月日
2026-09-11
更新時刻
2026-10-06 10:28:37 +0900
Micelle‐Assisted Electrodeposition of
γ
‐MnO
2
on Lead Anodes: Structural and Electrochemical Insights
ジャーナル論文
著者
Manickam Minakshi
(author) (
この著者で検索
)
https://orcid.org/0000-0001-6558-8317
(unauthenticated)
Manickam Minakshi
;
Rob Aughterson
(author) (
この著者で検索
)
Rob Aughterson
;
Parul Sharma
(author) (
この著者で検索
)
Parul Sharma
;
Anurag Prakash Sunda
(author) (
この著者で検索
)
https://orcid.org/0000-0001-9186-1970
(unauthenticated)
Anurag Prakash Sunda
;
Katsuhiko Ariga
(author) (
この著者で検索
)
https://orcid.org/0000-0002-2445-2955
NIMS Researchers Directory SAMURAI
Katsuhiko Ariga
;
Lok Kumar Shrestha
(author) (
この著者で検索
)
https://orcid.org/0000-0003-2680-6291
NIMS Researchers Directory SAMURAI
Lok Kumar Shrestha
キーワード
deposition
,
electrolysis
,
energy
,
manganese dioxide
,
storage
,
surfactant
刊行年月日
2025-07-21
更新時刻
2025-10-06 16:30:27 +0900
Not all H atoms contribute to low activation barrier diffusion in Ba1.75LiH2.7O0.9
ジャーナル論文
著者
Yoyo Hinuma
(author) (
この著者で検索
)
National Institute of Advanced Industrial Science and Technology (AIST) Department of Energy and Environment
Yoyo Hinuma
キーワード
Superionic conductivity
,
tracer diffusion coefficient
,
molecular dynamics
,
neural network potential
,
Ba1.75LiH2.7O0.9
刊行年月日
2026-12-31
更新時刻
2026-10-01 16:17:50 +0900
Crystal Electric Field Level Scheme Behind Giant Magnetocaloric Effect for Hydrogen Liquefaction
報告書
著者
N. Terada
(author) (
この著者で検索
)
https://orcid.org/0000-0002-8676-5586
National Institute for Materials Science Research Center for Magnetic and Spintronic Materials/Green Magnetic Materials Group
NIMS Researchers Directory SAMURAI
N. Terada
;
H. Mamiya
(author) (
この著者で検索
)
H. Mamiya
;
H. Saito
(author) (
この著者で検索
)
H. Saito
;
T. Nakajima
(author) (
この著者で検索
)
T. Nakajima
;
T. D. Yamamoto
(author) (
この著者で検索
)
T. D. Yamamoto
;
K. Terashima
(author) (
この著者で検索
)
K. Terashima
;
H. Takeya
(author) (
この著者で検索
)
H. Takeya
;
O. Sakai
(author) (
この著者で検索
)
O. Sakai
;
S. Itoh
(author) (
この著者で検索
)
S. Itoh
;
Y. Takano
(author) (
この著者で検索
)
Y. Takano
;
M. Hase
(author) (
この著者で検索
)
M. Hase
;
H. Kitazawa
(author) (
この著者で検索
)
H. Kitazawa
キーワード
Neutron scattering
,
Magnetocaloric effectg
刊行年月日
更新時刻
2024-05-20 12:30:17 +0900
Metallic NbS
2
One-Dimensional van der Waals Heterostructures
ジャーナル論文
著者
Wanyu Dai
(author) (
この著者で検索
)
Wanyu Dai
;
Yongjia Zheng
(author) (
この著者で検索
)
Yongjia Zheng
;
Akihito Kumamoto
(author) (
この著者で検索
)
Akihito Kumamoto
;
Yanlin Gao
(author) (
この著者で検索
)
Yanlin Gao
;
Sijie Fu
(author) (
この著者で検索
)
Sijie Fu
;
Sihan Zhao
(author) (
この著者で検索
)
Sihan Zhao
;
Ryo Kitaura
(author) (
この著者で検索
)
https://orcid.org/0000-0001-8108-109X
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Ryo Kitaura
;
Esko I. Kauppinen
(author) (
この著者で検索
)
Esko I. Kauppinen
;
Keigo Otsuka
(author) (
この著者で検索
)
Keigo Otsuka
;
Slava V. Rotkin
(author) (
この著者で検索
)
Slava V. Rotkin
;
Yuichi Ikuhara
(author) (
この著者で検索
)
Yuichi Ikuhara
;
Mina Maruyama
(author) (
この著者で検索
)
Mina Maruyama
;
Susumu Okada
(author) (
この著者で検索
)
Susumu Okada
;
Rong Xiang
(author) (
この著者で検索
)
Rong Xiang
;
Shigeo Maruyama
(author) (
この著者で検索
)
Shigeo Maruyama
キーワード
one dimensional materials
,
hetetrostructures
刊行年月日
2025-09-16
更新時刻
2026-04-30 12:01:11 +0900
Crystal structures, bonding and electronic structures of α- and β-Ir
2
B
3−
x
compounds
ジャーナル論文
著者
Oksana Sologub
(author) (
この著者で検索
)
https://orcid.org/0000-0003-2168-1901
(unauthenticated)
Oksana Sologub
;
Leonid P. Salamakha
(author) (
この著者で検索
)
https://orcid.org/0000-0002-7997-9463
(unauthenticated)
Leonid P. Salamakha
;
Berthold Stöger
(author) (
この著者で検索
)
https://orcid.org/0000-0002-0087-474X
(unauthenticated)
Berthold Stöger
;
Takao Mori
(author) (
この著者で検索
)
https://orcid.org/0000-0003-2682-1846
NIMS Researchers Directory SAMURAI
Takao Mori
;
Neven Barisic
(author) (
この著者で検索
)
https://orcid.org/0000-0003-4637-0544
(unauthenticated)
Neven Barisic
;
Peter F. Rogl
(author) (
この著者で検索
)
https://orcid.org/0000-0002-7733-1612
(unauthenticated)
Peter F. Rogl
;
Herwig Michor
(author) (
この著者で検索
)
https://orcid.org/0000-0003-1642-5946
(unauthenticated)
Herwig Michor
;
Ernst Bauer
(author) (
この著者で検索
)
https://orcid.org/0000-0001-7376-5897
(unauthenticated)
Ernst Bauer
キーワード
boride
刊行年月日
2024-08-27
更新時刻
2024-10-09 08:31:06 +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
<
1
2
3
4
5
…
8
>
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)