<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline" overflow="scroll"><mml:msub><mml:mi>M</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:mi>X</mml:mi></mml:math> Monolayers as Anode Materials for <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline" overflow="scroll"><mml:mi>Li</mml:mi></mml:math> Ion Batteries

Electrochemically efficient electrode materials are required for clean energy storage in $\mathrm{Li}$ ion batteries. We predict two-dimensional hexagonal metal nitrides, borides, and phosphides (${\mathrm{Sc}}_{2}\mathrm{B}$, ${\mathrm{Sc}}_{2}\mathrm{N}$, ${\mathrm{Y}}_{2}\mathrm{B}$, ${\mathrm{Y}}_{2}\mathrm{N}$, ${\mathrm{Y}}_{2}\mathrm{P}$) evaluate the feasibility of experimental realization. The combine excellent metallicity, as electrodes, with binding energies providing high capacity a low average open-circuit voltage. In contrast to silicene, borophene, ${\mathrm{Sn}\mathrm{S}}_{2}$, we observe negligible structural distortions during adsorption extraction, which results reversibility long cycle life. Superionic diffusion enables fast charge or discharge next-generation