キーワード: Density functional theory
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4 件のレコードが見つかりました。

Dataset
HeuslerDB_elecBand_ver1.0
データセット
著者
Terumasa Tadano SAMURAI ORCID
キーワード
Heusler alloys, Density functional theory, Band structure
刊行年月日
2025-07-16
更新時刻
2025-10-06 16:30:11 +0900
s41598-024-55014-8.pdf
Combinatorial characterization of metastable luminous silver cations
論文
著者
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
キーワード
Glass, Radiophotoluminescence, X-ray diffraction, Neutron diffraction, Reverse Monte Carlo, Density functional theory, X-ray absorption fine structure
刊行年月日
2024-02-26
更新時刻
2024-03-28 12:30:33 +0900
1-s2.0-S0008622324000332-main.pdf
An efficient cathode electrocatalyst for anion exchange membrane water electrolyzer
論文
著者
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
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
[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
雑誌
コレクション
Research Highlights
著者
International Center for Materials Nanoarchitectonics (WPI-MANA)
キーワード
Clays, Layered minerals, Mica, Kaolinite, Friction coefficients, Geophysics, Natural faults, Interlayer bonding, First-principles simulation, Density functional theory, van der Waals interaction
刊行年月日
2019-03-19
更新時刻
2023-12-25 00:30:23 +0900