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Generative AI‐Driven Accelerated Discovery of Passivation Molecules for Perovskite Solar Cells
- Journal article
- Creator
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;Adroit T. N. Fajar (author) (Search by this author)Guillaume Lambard (author) (Search by this author)National Institute for Materials Science
;
;Jessie Manopo (author) (Search by this author);Ruili Guo (author) (Search by this author);Kevin Septioga (author) (Search by this author);Rizfi F. Pari (author) (Search by this author);Toshinori Matsushima (author) (Search by this author)Zhanglin Guo (author) (Search by this author) - Keyword
- Generative AI, Passivation Molecules, Perovskite Solar Cells
- Date published
- 2026-04-02
- Updated at
- 2026-07-02 14:43:51 +0900
Periodic table-based compositional descriptors for accelerating electrochemical material discovery: Li-ion conductors and oxygen evolution electrocatalysts
- Journal article
- Creator
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Yen-Ju Wu (author) (Search by this author)
;
Yibin Xu (author) (Search by this author)
;
Lei Fang (author) (Search by this author)
;
;Wenqin Peng (author) (Search by this author)Ken Sakaushi (author) (Search by this author)
;
;Meiqi Zhang (author) (Search by this author)Masao Arai (author) (Search by this author)
;
Yukinori Koyama (author) (Search by this author)
- Keyword
- Solid electrolyte, ionic conductor, electrocatalyst, energy storage, descriptor
- Date published
- 2025-12-31
- Updated at
- 2025-06-18 12:30:21 +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
- Journal article
- Creator
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;Atsushi Tanaka (author) (Search by this author);Atsuki Saito (author) (Search by this author);Takashi Murata (author) (Search by this author)Ayako Nakata (author) (Search by this author)National Institute for Materials Science
;
Tsuyoshi Miyazaki (author) (Search by this author)National Institute for Materials Science
- Keyword
- Multi-component glass, First-principles calculations, Large-scale DFT, Classical force fields, Molecular dynamics simulations
- Date published
- 2023-11-25
- Updated at
- 2024-03-05 16:30:21 +0900
Direct Visualization of the Charge Transfer in a Graphene/α-RuCl3 Heterostructure via Angle-Resolved Photoemission Spectroscopy
- Journal article
- Creator
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;Antonio Rossi (author) (Search by this author);Cameron Johnson (author) (Search by this author);Jesse Balgley (author) (Search by this author);John C. Thomas (author) (Search by this author);Luca Francaviglia (author) (Search by this author);Riccardo Dettori (author) (Search by this author);Andreas K. Schmid (author) (Search by this author)Kenji Watanabe (author) (Search by this author)National Institute for Materials Science
;
Takashi Taniguchi (author) (Search by this author)National Institute for Materials Science
;
;Matthew Cothrine (author) (Search by this author);David G. Mandrus (author) (Search by this author);Chris Jozwiak (author) (Search by this author);Aaron Bostwick (author) (Search by this author);Erik A. Henriksen (author) (Search by this author);Alexander Weber-Bargioni (author) (Search by this author)Eli Rotenberg (author) (Search by this author)
- Keyword
- Graphene, α-ruthenium trichloride, electronic properties
- Date published
- 2023-09-13
- Updated at
- 2025-02-26 12:31:14 +0900
Nonnegative matrix factorization incorporating domain specific constraints for four dimensional scanning transmission electron microscopy
- Journal article
- Creator
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Koji Kimoto (author) (Search by this author)
;
Fumihiko Uesugi (author) (Search by this author)
;
Koji Harano (author) (Search by this author)
;
Jun Kikkawa (author) (Search by this author)
;
Ovidiu Cretu (author) (Search by this author)
;
Yuki Shibazaki (author) (Search by this author)
https://orcid.org/0000-0002-0550-6719
(unauthenticated)
;
Motoki Shiga (author) (Search by this author)
;
Atsushi Togo (author) (Search by this author)
- Keyword
- 4D-STEM, unsupervised machine learning, nonnegative matrix factorization, scanning transmission electron microscopy, metallic glass, amorphous, ZrCuAl
- Date published
- 2025-11-07
- Updated at
- 2025-12-01 12:30:04 +0900
Dual grain size-effects on hydrogen-assisted fatigue crack growth in 1 GPa-class medium-carbon martensitic steel
- Journal article
- Creator
-
Yuhei Ogawa (author) (Search by this author)National Institute for Materials Science
;
;Kazuhiro Kuriyama (author) (Search by this author)Motomichi Koyama (author) (Search by this author)
- Keyword
- Hydrogen embrittlement, Fatigue, Fracture, Martensitic steels, Grain size
- Date published
- 2023-09-09
- Updated at
- 2025-09-09 08:30:40 +0900
Quantitative analysis of local plasticity accompanying hydrogen-related fracture in low-carbon martensitic steel
- Journal article
- Creator
-
Xiaodong Lan (author) (Search by this author)
;
Kazuho Okada (author) (Search by this author)
;
Ivan Gutierrrez-Urrutia (author) (Search by this author)
;
Akinobu Shibata (author) (Search by this author)
- Keyword
- Hydrogen embrittlement, Martensite, Local plasticity, Electron backscatter diffraction (EBSD), Digital image correlation (DIC)
- Date published
- 2023-11-08
- Updated at
- 2024-11-21 16:31:07 +0900
Rotational and dilational reconstruction in transition metal dichalcogenide moiré bilayers
- Journal article
- Creator
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;Madeline Van Winkle (author) (Search by this author);Isaac M. Craig (author) (Search by this author);Stephen Carr (author) (Search by this author);Medha Dandu (author) (Search by this author);Karen C. Bustillo (author) (Search by this author);Jim Ciston (author) (Search by this author);Colin Ophus (author) (Search by this author)Takashi Taniguchi (author) (Search by this author)National Institute for Materials Science
;
Kenji Watanabe (author) (Search by this author)National Institute for Materials Science
;
;Archana Raja (author) (Search by this author);Sinéad M. Griffin (author) (Search by this author)D. Kwabena Bediako (author) (Search by this author)
- Keyword
- Lattice reconstruction, transition metal dichalcogenides, strain accumulation
- Date published
- 2023-05-24
- Updated at
- 2025-02-15 12:31:07 +0900
Overview of gaseous hydrogen-assisted fatigue crack growth in ferritic iron and steels: Bridging micro and macro
- Journal article
- Creator
-
Yuhei Ogawa (author) (Search by this author)Research Center for Structural Materials, National Institute for Materials Science
;
;Osamu Takakuwa (author) (Search by this author)Department of Mechanical Engineering, Kyushu UniversityAkinobu Shibata (author) (Search by this author)Research Center for Structural Materials, National Institute for Materials Science
- Keyword
- Hydrogen embrittlement, Ferritic steel, Fatigue crack growth, Crack path, Deformation microstructure
- Date published
- 2025-01-18
- Updated at
- 2025-01-20 16:30:23 +0900
A Nearly Zero-Cost Lot-by-Lot Inspection of Recycled Plastics: Prediction of Mechanical Properties from Viscosity Evolution during Melt Kneading
- Journal article
- Creator
-
Yusuke Hibi (author) (Search by this author)
;
;Shiho Uesaka (author) (Search by this author);Kiyotaka Hitomi (author) (Search by this author);Ken-ichi Niihara (author) (Search by this author);Asami Imai (author) (Search by this author)Sadaki Samitsu (author) (Search by this author)
;
Masanobu Naito (author) (Search by this author)
- Keyword
- Household Plastic Waste, Mechanical Recycling, Upcycling, Property Prediction of Recycled Materials, Melt Viscosity, Recurrent Neural Network
- Date published
- 2025-04-24
- Updated at
- 2025-04-25 16:30:08 +0900