Exploring the potential of MB₂ MBene family as promising anodes for Li-ion batteries.

ABSTRACT: In recent years, finding high-performance energy storage materials has become a major challenge for Li-ion batteries. B-based two-dimensional materials have become the focus of attention because of their abundant reserves and non-toxic characteristics. A series of two-dimensional transition metal borides (MBenes) are reported and their electrochemical properties as anode materials for Li-ion batteries are investigated by density functional theory (DFT) calculations. The surface of MB₂ possesses medium adsorption strength and diffusion energy barrier for Li atoms, which are conducive to the insertion and extraction of Li-ions during the charge/discharge process of Li-ion batteries. Herein, we explore the potential of MB₂ (M = Sc, Y, Ti, Zr, Hf, V, Nb, Ta, Cr, Mo, W, Mn

SUBMITTER: Han Y 

PROVIDER: S-EPMC10999910 | biostudies-literature | 2024 Apr

REPOSITORIES: biostudies-literature