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Resource type
Journal article(2)
Keyword
all solid state batteries (2)
molecular dynamics simulations (2)
solid electrolytes (2)
cathode coatings (1)
first-principles calculation (1)
first-principles calculations (1)
lithium ion conductors (1)
machine learning interatomic potentials (1)
solid hetero-interface modeling (1)
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Creative Commons BY-NC Attribution-NonCommercial 4.0 International (1)
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application/pdf (2)
Keyword: molecular dynamics simulations
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2 records found.
First‐Principles Study on the Interfacial Cathode‐Contact Stability and Li Diffusivity of N‐Doped Li
6
Zr
2
O
7
for All‐Solid‐State Li‐Ion Batteries
Journal article
Creator
Randy Jalem
(author) (
Search by this author
)
https://orcid.org/0000-0001-9505-771X
NIMS Researchers Directory SAMURAI
Randy Jalem
;
Yoshitaka Tateyama
(author) (
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)
https://orcid.org/0000-0002-5532-6134
NIMS Researchers Directory SAMURAI
Yoshitaka Tateyama
;
Kazunori Takada
(author) (
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)
https://orcid.org/0000-0001-7568-1806
NIMS Researchers Directory SAMURAI
Kazunori Takada
;
Tetsuya Yamada
(author) (
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)
Tetsuya Yamada
;
Katsuya Teshima
(author) (
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)
Katsuya Teshima
Keyword
all solid state batteries
,
lithium ion conductors
,
solid electrolytes
,
cathode coatings
,
first-principles calculations
,
molecular dynamics simulations
,
machine learning interatomic potentials
,
solid hetero-interface modeling
Date published
2025-10-01
Updated at
2025-12-19 08:30:58 +0900
Crystal structure, stability and Li superionic conductivity of pyrochlore-type solid electrolyte Li
2−
x
La
(1+
x
)/3
Nb
2
O
6
F: a first-principles calculation study
Journal article
Creator
Randy Jalem
(author) (
Search by this author
)
https://orcid.org/0000-0001-9505-771X
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Randy Jalem
;
Kazunori Takada
(author) (
Search by this author
)
https://orcid.org/0000-0001-7568-1806
National Institute for Materials Science
NIMS Researchers Directory SAMURAI
Kazunori Takada
;
Hitoshi Onodera
(author) (
Search by this author
)
Hitoshi Onodera
;
Shuhei Yoshida
(author) (
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)
Shuhei Yoshida
Keyword
all solid state batteries
,
solid electrolytes
,
first-principles calculation
,
molecular dynamics simulations
Date published
2024-10-28
Updated at
2025-10-28 08:30:19 +0900
Keyword
all solid state batteries
(2)
molecular dynamics simulations
(2)
solid electrolytes
(2)
cathode coatings
(1)
first-principles calculation
(1)
first-principles calculations
(1)
lithium ion conductors
(1)
machine learning interatomic potentials
(1)
solid hetero-interface modeling
(1)
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