Two-Dimensional ABS₄ (A and B = Zr, Hf, and Ti) as Promising Anode for Li and Na-Ion Batteries.

ABSTRACT: Metal ion intercalation into van der Waals gaps of layered materials is vital for large-scale electrochemical energy storage. Transition-metal sulfides, ABS₄ (where A and B represent Zr, Hf, and Ti as monolayers as anodes), are examined as lithium and sodium ion storage. Our study reveals that these monolayers offer exceptional performance for ion storage. The low diffusion barriers enable efficient lithium bonding and rapid separation while all ABS₄ phases remain semiconducting before lithiation and transition to metallic states, ensuring excellent electrical conductivity. Notably, the monolayers demonstrate impressive ion capacities: 1639, 1202, and 1119 mAh/g for Li-ions, and 1093, 801, and 671 mAh/g for Na-ions in ZrTiS₄, HfTiS₄, and HfZrS

SUBMITTER: Ahmed S 

PROVIDER: S-EPMC11547295 | biostudies-literature | 2024 Nov

REPOSITORIES: biostudies-literature