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Structural mechanical electronic and optical properties of N-decorated single-walled silicon carbide nanotube photocatalyst for hydrogen evolution v.pdf
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) (この著者で検索)
Bauchi State University Gadau Department of Physics
;
Razif Razali (author) (この著者で検索)
Universiti Teknologi Malaysia Department of Physics Faculty of Science
;
Salisu Tata (author) (この著者で検索)
Bauchi State University Gadau, Bauchi Department of Physics
;
Mohammed Kolo (author) (この著者で検索)
Borno State University Department of Physics
;
Hamid Osman (author) (この著者で検索)
Taif University College of Applied Medical Sciences
;
Abubakr M. Idris (author) (この著者で検索)
King Khalid University College of Science
ORCID ;
Mayeen Uddin Khandaker (author) (この著者で検索)
Sunway University Centre for Applied Physics and Radiation Technologies
ORCID
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
出版版：2024_PhysChemChemPhys_26_20251.pdf
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)
National Institute for Materials Science
ORCID SAMURAI ;
Tsuyoshi Miyazaki (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Ayako Nakata (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI
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
2023ISIJInter_(Enoki)_Review.pdf
Current Status and Future Scope of Phase Diagram Studies
ジャーナル論文
著者
Masanori Enoki (author) (この著者で検索)
;
Satoshi Minamoto (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Ikuo Ohnuma (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Taichi Abe (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Hiroshi Ohtani (author) (この著者で検索)
キーワード
CALPHAD, Phase diagrams, Phase equilibria
刊行年月日
2023-03-15
更新時刻
2024-01-05 22:12:13 +0900
1-s2.0-S0022309323005793-main.pdf
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) (この著者で検索)
;
Atsuki Saito (author) (この著者で検索)
;
Takashi Murata (author) (この著者で検索)
;
Ayako Nakata (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Tsuyoshi Miyazaki (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI
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
jacs.6c06021.pdf
Excited Triplet State of Heptacene Studied by Electron Spin Resonance
ジャーナル論文
著者
Mikaru Masuda (author) (この著者で検索)
;
Joel Hao Jorolan (author) (この著者で検索)
; ORCID SAMURAI ;
Hiroko Yamada (author) (この著者で検索)
ORCID ;
Tomoaki Miura (author) (この著者で検索)
ORCID ;
Tadaaki Ikoma (author) (この著者で検索)
ORCID
キーワード
Acene, Magnetic property, Electron Spin Resonance, Excited state
刊行年月日
2026-09-02
更新時刻
2026-10-06 16:03:50 +0900
BaCaSi4_revised_240723.pdf
Effect of Ca substitution on crystal structure and band gap of solar cell material BaSi2
ジャーナル論文
著者
Motoharu Imai (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Yoshitaka Matsushita (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI
キーワード
silicide, semiconductor, crystal structure, optical properties, electronic structure
刊行年月日
2024-01-06
更新時刻
2026-01-06 08:30:34 +0900
s41467-023-41780-y.pdf
Encoding multistate charge order and chirality in endotaxial heterostructures
ジャーナル論文
著者
Samra Husremović (author) (この著者で検索)
;
Berit H. Goodge (author) (この著者で検索)
;
Matthew P. Erodici (author) (この著者で検索)
;
Katherine Inzani (author) (この著者で検索)
;
Alberto Mier (author) (この著者で検索)
;
Stephanie M. Ribet (author) (この著者で検索)
;
Karen C. Bustillo (author) (この著者で検索)
;
Takashi Taniguchi (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Kenji Watanabe (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Colin Ophus (author) (この著者で検索)
;
Sinéad M. Griffin (author) (この著者で検索)
;
D. Kwabena Bediako (author) (この著者で検索)
キーワード
High-density phase change memory, charge density wave, metastability
刊行年月日
2023-09-27
更新時刻
2025-02-11 12:30:23 +0900
takahara-et-al-2024-toward-the-atomic-level-analysis-of-ground-state-electronic-structures-of-solid-materials-via.pdf
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)
;
Fumihiko Uesugi (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Koji Kimoto (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Kiyou Shibata (author) (この著者で検索)
;
Teruyasu Mizoguchi (author) (この著者で検索)
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
Revised-Kesterite-Cp.pdf
Heat capacity and structural transition effect in polycrystalline kesterite
ジャーナル論文
著者
Cédric Bourgès (author) (この著者で検索)
National Institute for Materials Science
ORCID ;
Andrei Novitskii (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Makoto Tachibana (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Naoki Sato (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Takao Mori (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI
キーワード
kesterite
刊行年月日
2024-10-08
更新時刻
2025-10-21 15:51:25 +0900
s41467-025-66594-y.pdf
Gate tuning of coupled electronic and structural phase transition in atomically thin Ta2NiSe5
ジャーナル論文
著者
Keyu Wei (author) (この著者で検索)
;
Yixuan Luo (author) (この著者で検索)
;
Kenji Watanabe (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Takashi Taniguchi (author) (この著者で検索)
National Institute for Materials Science
ORCID SAMURAI ;
Yanfeng Guo (author) (この著者で検索)
;
Xiaoxiang Xi (author) (この著者で検索)
キーワード
Ta2NiSe5
, phase transition, excitonic insulator
刊行年月日
2025-12-09
更新時刻
2026-02-17 12:30:48 +0900
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