Computational method:

2 records found.

1-s2.0-S0169433222035930-main.pdf
First-principles study of the reconstruction of MgM2O4 (M = Mn, Fe, Co) spinel surface
Journal article
Creator
Tomoaki Kaneko (author) (Search by this author)
Research and Services Division of Materials Data and Integrated System (MaDIS), National Institute for Materials Science (NIMS)
ORCID ;
Yui Fujihara (author) (Search by this author)
Institute of Multidisciplinary Research for Advanced Materials, Tohoku university
ORCID ;
Hiroaki Kobayashi (author) (Search by this author)
Institute of Multidisciplinary Research for Advanced Materials, Tohoku university
ORCID ;
Keitaro Sodeyama (author) (Search by this author)
Research and Services Division of Materials Data and Integrated System (MaDIS), National Institute for Materials Science (NIMS)
ORCID SAMURAI
Keyword
Mg-battery, Cathode, Spinel Surface, Surface reconstruction, First-principles calculations
Date published
2022-12-17
Updated at
2024-01-05 22:13:50 +0900

Dataset
Calculated crystal structures of formamidinium–lead–chloride–dimethyl sulfoxide and related compounds
Dataset
Creator
Noriko Saito (author) (Search by this author)
Research Center for Functional Materials/Electric and Electronic Materials Field/Ceramics Surface and Interface Group
ORCID SAMURAI ;
Yoshitaka Matsushita (author) (Search by this author)
Research Network and Facility Services Division/Materials Analysis Station
ORCID SAMURAI ;
Takeo Ohsawa (author) (Search by this author)
Research Center for Functional Materials/Electric and Electronic Materials Field/Electroceramics Group
ORCID SAMURAI ;
Hiroyo Segawa (author) (Search by this author)
Research Center for Functional Materials/Electric and Electronic Materials Field/Electroceramics Group
ORCID SAMURAI ;
Naoki Ohashi (author) (Search by this author)
Research Center for Functional Materials/Electric and Electronic Materials Field/Electroceramics Group
ORCID SAMURAI
Keyword
hybrid halide, formamidinium, dimethyl sulfoxide (DMSO), lead halide
Date published
2022-11-03
Updated at
2024-01-05 22:13:14 +0900