Lithium superionic behavior and defect robustness in LiNbOCl 4 : a first-principles molecular dynamics study
- ジャーナル論文
- 著者
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Halimah Harfah (author) (この著者で検索)
https://orcid.org/0000-0002-7268-3758
(unauthenticated)
;
Yoshitaka Tateyama (author) (この著者で検索)
;
Kazunori Takada (author) (この著者で検索)
;
Randy Jalem (author) (この著者で検索)
- キーワード
- all solid state batteries, solid electrolytes, first-principles calculations, ab initio molecular dynamics siumulations
- 刊行年月日
- 2026-03-06
- 更新時刻
- 2026-07-10 16:38:15 +0900
Ion diffusion driven by dynamic lattice deformations in perovskite solid electrolytes
- ジャーナル論文
- 著者
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Bo Gao (author) (この著者で検索)
https://orcid.org/0000-0003-1183-656X
(unauthenticated)
;
Randy Jalem (author) (この著者で検索)
;
Yoshitaka Tateyama (author) (この著者で検索)
- キーワード
- all solid state batteries, solid electrolytes, first-principles calculations, molecular dynamics simulations, machine learning interatomic potentials
- 刊行年月日
- 2025-07-30
- 更新時刻
- 2026-04-30 12:01:11 +0900
Li Jump Diffusion and Long-Range Transport in Garnet Single Crystals: Spanning the kHz–GHz Range
- ジャーナル論文
- 著者
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;Jana Königsreiter (author) (この著者で検索)Jonas Spychala (author) (この著者で検索)
https://orcid.org/0000-0001-8315-6163
(unauthenticated)
;
;Gergö Horvath (author) (この著者で検索)Kunimitsu Kataoka (author) (この著者で検索)
https://orcid.org/0000-0001-5322-3011
(unauthenticated)
;
Florian Stainer (author) (この著者で検索)
https://orcid.org/0000-0003-2072-2687
(unauthenticated)
;
Junji Akimoto (author) (この著者で検索)
;
H. Martin R. Wilkening (author) (この著者で検索)
https://orcid.org/0000-0001-9706-4892
(unauthenticated)
- キーワード
- lithium, dynamics, diffusion, NMR, solid electrolytes, garnet, single crystals
- 刊行年月日
- 2026-07-28
- 更新時刻
- 2026-07-29 09:34:13 +0900
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
- ジャーナル論文
- 著者
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Randy Jalem (author) (この著者で検索)
;
Yoshitaka Tateyama (author) (この著者で検索)
;
Kazunori Takada (author) (この著者で検索)
;
;Tetsuya Yamada (author) (この著者で検索)Katsuya Teshima (author) (この著者で検索) - キーワード
- 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
- 刊行年月日
- 2025-10-01
- 更新時刻
- 2025-12-19 08:30:58 +0900
Computational discovery of stable Na-ion sulfide solid electrolytes with high conductivity at room temperature
- ジャーナル論文
- 著者
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Seong-Hoon Jang (author) (この著者で検索)
https://orcid.org/0000-0001-6026-636X
(unauthenticated)
;
Randy Jalem (author) (この著者で検索)National Institute for Materials Science
;
Yoshitaka Tateyama (author) (この著者で検索)National Institute for Materials Science
- キーワード
- all solid state batteries, solid electrolytes, high-throughput first-principles calculation, computational materials search, machine learning, sodium ion conductors
- 刊行年月日
- 2024-08-05
- 更新時刻
- 2024-10-10 16:30:52 +0900