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) (Search by this author)

https://orcid.org/0000-0002-5532-6134

NIMS Researchers Directory SAMURAI

Yoshitaka Tateyama ;

Kazunori Takada (author) (Search by this author)

https://orcid.org/0000-0001-7568-1806

NIMS Researchers Directory SAMURAI

Kazunori Takada ;

Tetsuya Yamada (author) (Search by this author)

Tetsuya Yamada ;

Katsuya Teshima (author) (Search by this author)

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