Ultra-Stable Topological Telluride Monolayers for Next-Generation Battery Anodes and Sulfur Hosts.

ABSTRACT: Rechargeable batteries are approaching the energy density ceiling set by conventional intercalation electrodes, while still suffering from the polysulfide shuttle and dendrite growth. Here, 2D ternary metal tellurides (HfTiTe₄, ZrTiTe₄, and HfZrTe₄) are computationally designed, exhibiting a unique electronic environment with topological band structures and serving as multifunctional materials for ultrafast ion transport and strong catalytic anchoring in battery applications. Adsorption strengths demonstrate robust Li⁺/Na⁺ ion binding with considerable charge transfer, ensuring persistent chemisorption without affecting conductivity. Low ion-diffusion barriers of 0.206 eV for Li⁺ and 0.046 eV for Na⁺, and ultrahig

SUBMITTER: Ahmed S 

PROVIDER: S-EPMC12822415 | biostudies-literature | 2026 Jan

REPOSITORIES: biostudies-literature