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Resource type
Dataset(1)
Journal article(1)
Keyword
Cathode (1)
First-principles calculations (1)
Mg-battery (1)
Spinel Surface (1)
Surface reconstruction (1)
dimethyl sulfoxide (DMSO) (1)
formamidinium (1)
hybrid halide (1)
lead halide (1)
(more)
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Creative Commons BY Attribution 4.0 International (1)
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application/pdf (1)
chemical/x-cif (1)
Computational method
density functional theory or electronic structure (2)
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2 records found.
First-principles study of the reconstruction of MgM2O4 (M = Mn, Fe, Co) spinel surface
Journal article
Creator
Tomoaki Kaneko
(author) (
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https://orcid.org/0000-0002-5296-7403
(unauthenticated)
Research and Services Division of Materials Data and Integrated System (MaDIS), National Institute for Materials Science (NIMS)
Tomoaki Kaneko
;
Yui Fujihara
(author) (
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https://orcid.org/0000-0002-4842-5740
(unauthenticated)
Institute of Multidisciplinary Research for Advanced Materials, Tohoku university
Yui Fujihara
;
Hiroaki Kobayashi
(author) (
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)
https://orcid.org/0000-0001-6705-9515
(unauthenticated)
Institute of Multidisciplinary Research for Advanced Materials, Tohoku university
Hiroaki Kobayashi
;
Keitaro Sodeyama
(author) (
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)
https://orcid.org/0000-0002-9228-0729
Research and Services Division of Materials Data and Integrated System (MaDIS), National Institute for Materials Science (NIMS)
NIMS Researchers Directory SAMURAI
Keitaro Sodeyama
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
Calculated crystal structures of formamidinium–lead–chloride–dimethyl sulfoxide and related compounds
Dataset
Creator
Noriko Saito
(author) (
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)
https://orcid.org/0000-0002-8104-0172
Research Center for Functional Materials/Electric and Electronic Materials Field/Ceramics Surface and Interface Group
NIMS Researchers Directory SAMURAI
Noriko Saito
;
Yoshitaka Matsushita
(author) (
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)
https://orcid.org/0000-0002-4968-8905
Research Network and Facility Services Division/Materials Analysis Station
NIMS Researchers Directory SAMURAI
Yoshitaka Matsushita
;
Takeo Ohsawa
(author) (
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)
https://orcid.org/0000-0001-7528-8940
Research Center for Functional Materials/Electric and Electronic Materials Field/Electroceramics Group
NIMS Researchers Directory SAMURAI
Takeo Ohsawa
;
Hiroyo Segawa
(author) (
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)
https://orcid.org/0000-0002-7198-8410
Research Center for Functional Materials/Electric and Electronic Materials Field/Electroceramics Group
NIMS Researchers Directory SAMURAI
Hiroyo Segawa
;
Naoki Ohashi
(author) (
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)
https://orcid.org/0000-0002-4011-0031
Research Center for Functional Materials/Electric and Electronic Materials Field/Electroceramics Group
NIMS Researchers Directory SAMURAI
Naoki Ohashi
Keyword
hybrid halide
,
formamidinium
,
dimethyl sulfoxide (DMSO)
,
lead halide
Date published
2022-11-03
Updated at
2024-01-05 22:13:14 +0900
Keyword
Cathode
(1)
First-principles calculations
(1)
Mg-battery
(1)
Spinel Surface
(1)
Surface reconstruction
(1)
dimethyl sulfoxide (DMSO)
(1)
formamidinium
(1)
hybrid halide
(1)
lead halide
(1)
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