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Journal article(2)
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all solid state batteries (2)
first-principles calculations (2)
solid electrolytes (2)
ab initio molecular dynamics siumulations (1)
machine learning interatomic potentials (1)
molecular dynamics simulations (1)
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Keyword: first-principles calculations
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Ion diffusion driven by dynamic lattice deformations in perovskite solid electrolytes
Journal article
Creator
Bo Gao
(author) (
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https://orcid.org/0000-0003-1183-656X
(unauthenticated)
Bo Gao
;
Randy Jalem
(author) (
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)
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
Keyword
all solid state batteries
,
solid electrolytes
,
first-principles calculations
,
molecular dynamics simulations
,
machine learning interatomic potentials
Date published
2025-07-30
Updated at
2026-04-30 12:01:11 +0900
Lithium superionic behavior and defect robustness in LiNbOCl
4
: a first-principles molecular dynamics study
Journal article
Creator
Halimah Harfah
(author) (
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https://orcid.org/0000-0002-7268-3758
(unauthenticated)
Halimah Harfah
;
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
;
Randy Jalem
(author) (
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)
https://orcid.org/0000-0001-9505-771X
NIMS Researchers Directory SAMURAI
Randy Jalem
Keyword
all solid state batteries
,
solid electrolytes
,
first-principles calculations
,
ab initio molecular dynamics siumulations
Date published
2026-03-06
Updated at
2026-07-10 16:38:15 +0900
Keyword
all solid state batteries
(2)
first-principles calculations
(2)
solid electrolytes
(2)
ab initio molecular dynamics siumulations
(1)
machine learning interatomic potentials
(1)
molecular dynamics simulations
(1)
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Journal article(2)
Keyword
all solid state batteries (2)
first-principles calculations (2)
solid electrolytes (2)
ab initio molecular dynamics siumulations (1)
machine learning interatomic potentials (1)
molecular dynamics simulations (1)
(more)
License
Creative Commons BY-NC Attribution-NonCommercial 4.0 International (1)
In Copyright (1)
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application/pdf (2)