資源タイプ: journal_article キーワード: density functional theory
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20240424 Angew Chem Int Ed - 2024 - Sun - On‐Surface Synthesis of Silole and Disila‐Cyclooctene Derivatives.pdf
On‐Surface Synthesis of Silole and Disila‐Cyclooctene Derivatives
論文
著者
Kewei Sun SAMURAI ORCID ; Lauri Kurki ; Orlando J. Silveira ; Tomohiko Nishiuchi ; Takashi Kubo ; Adam S. Foster ; Shigeki Kawai SAMURAI ORCID
キーワード
on-surface synthesis, sila-cyclic rings, scanning tunneling microscopy/spectroscopy, density functional theory, nanoribbon structures
刊行年月日
2024-04-24
更新時刻
2024-04-25 16:30:15 +0900
esi_clean.pdf
Multiobjective Solid Electrolyte Design of Tetragonal and Cubic Inverse-Perovskites for All-Solid-State Lithium-Ion Batteries by High-Throughput Density Functional Theory Calculations and AI-Driven Methods
論文
著者
JALEM Randy SAMURAI ORCID ; TATEYAMA Yoshitaka SAMURAI ORCID ; TAKADA Kazunori SAMURAI ORCID ; JANG Seonghoon
キーワード
all solid state batteries, solid electrolytes, density functional theory, materials informatics, machine learning, novel materials search
刊行年月日
2023-09-07
更新時刻
2024-08-28 08:30:15 +0900
d2ta08581j.pdf
A high voltage aqueous proton battery using an optimized operation of a MoO3 positive electrode
論文
著者
Atsunori Ikezawa ORCID ; KOYAMA, Yukinori SAMURAI ORCID ; Tadaaki Nishizawa ; Hajime Arai ORCID
キーワード
proton battery, molybdenum trioxide, operando x-ray diffraction, density functional theory
刊行年月日
2023-01-06
更新時刻
2024-01-05 22:11:59 +0900