File type: application/pdf Keyword: solid electrolytes
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5 records found.

manuscript_LZON_rev1_clean.pdf
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
Article
Creator
Randy Jalem SAMURAI ORCID ; Yoshitaka Tateyama SAMURAI ORCID ; Kazunori Takada SAMURAI ORCID ; Tetsuya Yamada ; 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
TSTM-2025-0032.R1_graphical_abstract.pdf
Designing a Unified Data Structure for Solid-Electrolyte Research Projects
Dataset
Creator
Yasuhiro Fujiwara SAMURAI ORCID ; Masahiko Demura SAMURAI ORCID ; Kazunori Takada SAMURAI ORCID ; Kota Suzuki ; Satoshi Hori ; Masaki Azuma ; Ryoji Kanno ; Yoshiyuki Inaguma ; Akitoshi Hayashi ; Yasutoshi Iriyama ; Hirotoshi Yamada ; Tetsuhiro Katsumata
Keyword
solid electrolytes, process chain, data structure, data model, data management, Research Data Express, RDE
Date published
2025-12-31
Updated at
2025-12-19 08:30:30 +0900
LLNOF_es1_rev_v3.pdf
Crystal structure, stability and Li superionic conductivity of pyrochlore-type solid electrolyte Li2−xLa(1+x)/3Nb2O6F: a first-principles calculation study
Article
Creator
Randy Jalem SAMURAI ORCID ; Kazunori Takada SAMURAI ORCID ; Hitoshi Onodera ; 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
jmca2024_NaSulfideConductor_esi_rj.pdf
Computational discovery of stable Na-ion sulfide solid electrolytes with high conductivity at room temperature
Article
Creator
Seong-Hoon Jang ORCID ; Randy Jalem SAMURAI ORCID ; Yoshitaka Tateyama SAMURAI ORCID
Keyword
all solid state batteries, solid electrolytes, high-throughput first-principles calculation, computational materials search, machine learning, sodium ion conductors
Date published
2024-08-05
Updated at
2024-10-10 16:30:52 +0900
esi_clean.pdf
Multiobjective Solid Electrolyte Design of Tetragonal and Cubic Inverse-Perovskites for All-Solid-State Lithium-Ion Batteries by High-Throughput Density Functional Theory Calculations and AI-Driven Methods
Article
Creator
JALEM Randy SAMURAI ORCID ; TATEYAMA Yoshitaka SAMURAI ORCID ; TAKADA Kazunori SAMURAI ORCID ; JANG Seonghoon
Keyword
all solid state batteries, solid electrolytes, density functional theory, materials informatics, machine learning, novel materials search
Date published
2023-09-07
Updated at
2024-08-28 08:30:15 +0900