ファイル種別: application/pdf キーワード: density functional theory calculation

3 件のレコードが見つかりました。

20260130 Donglin-Kawai br-mediated-spin-state-control-in-nickelocene-and-cobaltocene.pdf
Br-Mediated Spin-State Control in Nickelocene and Cobaltocene
ジャーナル論文
著者
Donglin Li (author) (この著者で検索)
National Institute for Materials Science Center for Basic Research on Materials
;
Nan Cao (author) (この著者で検索)
Aalto University
;
Adam S. Foster (author) (この著者で検索)
Aalto University
ORCID ;
Shigeki Kawai (author) (この著者で検索)
National Institute for Materials Science Center for Basic Research on Materials
ORCID SAMURAI
キーワード
Nickelocene, Cobaltocene, scanning tunneling microscopy, Single-molecule magnets, Spin-state transition, density functional theory calculation
刊行年月日
2026-01-28
更新時刻
2026-02-08 08:30:04 +0900

Manuscript.pdf
Atomic-Scale Observation of Moiré potential in Twisted Hexagonal Boron Nitride Layers by Electron Microscopy
ジャーナル論文
著者
Rina Mishima (author) (この著者で検索)
Graduate School of Science, Kobe University
;
Takuro Nagai (author) (この著者で検索)
National Institute for Materials Science Research Network and Facility Services Division/Materials Fabrication and Analysis Platform/Electron Microscopy Unit
ORCID SAMURAI ;
Hiroyo Segawa (author) (この著者で検索)
National Institute for Materials Science Research Center for Electronic and Optical Materials/Functional Materials Field/Amorphous Material Group
ORCID SAMURAI ;
Masahiro Ehara (author) (この著者で検索)
Institute for Molecular Science
;
Takashi Uchino (author) (この著者で検索)
Graduate School of Science, Kobe University
キーワード
hexagonal boron nitride (hBN), Moiré superlattices, Moiré potential, two-dimensional functional material, aberration-corrected TEM, density functional theory calculation
刊行年月日
2025-04-24
更新時刻
2025-04-17 16:15:36 +0900

JCP21-AR-COMMA2021-00971.pdf
Combination of recommender system and single-particle diagnosis for accelerated discovery of novel nitrides
ジャーナル論文
著者
ORCID SAMURAI ;
SEKO, Atsuto (author) (この著者で検索)
ORCID ;
TANAKA, Isao (author) (この著者で検索)
ORCID ; ORCID SAMURAI ; ORCID SAMURAI
キーワード
materials informatics, density functional theory calculation, materials search
刊行年月日
2021-06-14
更新時刻
2024-01-05 22:12:06 +0900