File type: application/pdf Keyword: Density functional theory
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3 records found.

s41598-024-55014-8.pdf
Combinatorial characterization of metastable luminous silver cations
Article
Creator
Hirokazu Masai ; Masanori Koshimizu ; Hiroki Kawamoto ; Hiroyuki Setoyama ; Yohei Onodera SAMURAI ORCID ; Kazutaka Ikeda ; Shingo Maruyama ; Naoki Haruta ; Tohru Sato ; Yuji Matsumoto ; Chika Takahashi ; Teruyasu Mizoguchi
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
Article
Creator
Shanmugam Ramakrishnan ; Subramanian Vijayapradeep ; Selva Chandrasekaran Selvaraj ORCID ; Jian Huang ; S.C. Karthikeyan ; Rambabu Gutru ; Natarajan Logeshwaran ; Tsuyoshi Miyazaki SAMURAI ORCID ; Mohamed Mamlouk ; Dong Jin Yoo
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)
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