Keyword: density functional theory calculation

3 records found.

20260130 Donglin-Kawai br-mediated-spin-state-control-in-nickelocene-and-cobaltocene.pdf
Br-Mediated Spin-State Control in Nickelocene and Cobaltocene
Journal article
Creator
Donglin Li (author) (Search by this author)
Center for Basic Research on Materials, National Institute for Materials Science
;
Nan Cao (author) (Search by this author)
Aalto University
;
Adam S. Foster (author) (Search by this author)
Aalto University
ORCID ;
Shigeki Kawai (author) (Search by this author)
Center for Basic Research on Materials, National Institute for Materials Science
ORCID SAMURAI
Keyword
Nickelocene, Cobaltocene, scanning tunneling microscopy, Single-molecule magnets, Spin-state transition, density functional theory calculation
Date published
2026-01-28
Updated at
2026-02-08 08:30:04 +0900

Manuscript.pdf
Atomic-Scale Observation of Moiré potential in Twisted Hexagonal Boron Nitride Layers by Electron Microscopy
Journal article
Creator
Rina Mishima (author) (Search by this author)
Graduate School of Science, Kobe University
;
Takuro Nagai (author) (Search by this author)
Research Network and Facility Services Division/Materials Fabrication and Analysis Platform/Electron Microscopy Unit, National Institute for Materials Science
ORCID SAMURAI ;
Hiroyo Segawa (author) (Search by this author)
Research Center for Electronic and Optical Materials/Functional Materials Field/Amorphous Material Group, National Institute for Materials Science
ORCID SAMURAI ;
Masahiro Ehara (author) (Search by this author)
Institute for Molecular Science
;
Takashi Uchino (author) (Search by this author)
Graduate School of Science, Kobe University
Keyword
hexagonal boron nitride (hBN), Moiré superlattices, Moiré potential, two-dimensional functional material, aberration-corrected TEM, density functional theory calculation
Date published
2025-04-24
Updated at
2025-04-17 16:15:36 +0900