The Li₂Ti₆O₁₃ and Li₂Zr₆O₁₃ composite as a high-performance anode for alkali-ion batteries: a molecular dynamics study.

ABSTRACT: The current development of technology has highlighted the necessity of compounds that enhance the durability and performance of alkali-ion batteries. The anodes of these batteries need to overcome the challenges of low dc-conductivity at ambient temperatures and interfacial resistance between the solid-state electrolyte. By conducting large-scale molecular dynamics simulations, we investigated the transport properties of Li₂Ti₆O₁₃ and Li₂Zr₆O₁₃ mono- and bi-crystals, as well as Li₂Ti₆O₁₃@Li₂Zr₆O₁₃ composites. While the monocrystalline and bi-crystalline Li₂Zr₆O₁₃ show similar transport properties, the composite materials, combi

SUBMITTER: Zulueta YA 

PROVIDER: S-EPMC11258964 | biostudies-literature | 2024 Jul

REPOSITORIES: biostudies-literature