File type: application/pdf Keyword: Density functional theory

4 records found.

Miyamoto_2025.pdf
Construction of Machine Learning Potentials toward the Exploration of Alloy Cluster Catalysts
Journal article
Creator
Kentaro Miyamoto (author) (Search by this author)
;
Koji Shimizu (author) (Search by this author)
;
Anh Khoa Augustin Lu (author) (Search by this author)
ORCID SAMURAI ;
Satoshi Watanabe (author) (Search by this author)
Keyword
High entropy alloys, Machine learning, Density functional theory, Catalysts, CO2 reduction reaction
Date published
2025-05-17
Updated at
2026-05-18 15:04:41 +0900

s41598-024-55014-8.pdf
Combinatorial characterization of metastable luminous silver cations
Journal article
Creator
Hirokazu Masai (author) (Search by this author)
;
Masanori Koshimizu (author) (Search by this author)
;
Hiroki Kawamoto (author) (Search by this author)
;
Hiroyuki Setoyama (author) (Search by this author)
;
Yohei Onodera (author) (Search by this author)
ORCID SAMURAI ;
Kazutaka Ikeda (author) (Search by this author)
;
Shingo Maruyama (author) (Search by this author)
;
Naoki Haruta (author) (Search by this author)
;
Tohru Sato (author) (Search by this author)
;
Yuji Matsumoto (author) (Search by this author)
;
Chika Takahashi (author) (Search by this author)
;
Teruyasu Mizoguchi (author) (Search by this author)
Keyword
Glass, Radiophotoluminescence, X-ray diffraction, Neutron diffraction, Reverse Monte Carlo, Density functional theory, X-ray absorption fine structure
Date published
2024-02-26
Updated at
2024-03-28 12:30:33 +0900

1-s2.0-S0008622324000332-main.pdf
An efficient cathode electrocatalyst for anion exchange membrane water electrolyzer
Journal article
Creator
Shanmugam Ramakrishnan (author) (Search by this author)
;
Subramanian Vijayapradeep (author) (Search by this author)
;
Selva Chandrasekaran Selvaraj (author) (Search by this author)
National Institute for Materials Science
ORCID ;
Jian Huang (author) (Search by this author)
;
S.C. Karthikeyan (author) (Search by this author)
;
Rambabu Gutru (author) (Search by this author)
;
Natarajan Logeshwaran (author) (Search by this author)
;
Tsuyoshi Miyazaki (author) (Search by this author)
ORCID SAMURAI ;
Mohamed Mamlouk (author) (Search by this author)
;
Dong Jin Yoo (author) (Search by this author)
Keyword
Hierarchical MoS2, Pt–C core-shell, Density functional theory, In-situ Raman analysis, Anion exchange membrane water electrolyzer
Date published
2024-01-15
Updated at
2024-03-04 16:30:11 +0900

[Vol. 48]Origins of Macroscopic Friction Linked to Energy Landscape on the Nanoscale_ WPI-MANA.pdf
[Research Highlights Vol.48] Origins of Macroscopic Friction Linked to Energy Landscape on the Nanoscale
Magazine
Collection
Research Highlights
Creator
International Center for Materials Nanoarchitectonics (WPI-MANA) (author) (Search by this author)
National Institute for Materials Science
Keyword
Clays, Layered minerals, Mica, Kaolinite, Friction coefficients, Geophysics, Natural faults, Interlayer bonding, First-principles simulation, Density functional theory, van der Waals interaction
Date published
2019-03-19
Updated at
2023-12-25 00:30:23 +0900