Metal-Ions Intercalation Mechanism in Layered Anode From First-Principles Calculation

Layered structure (MoS 2 ) has the potential use as an anode in metal-ions (M-ions) batteries. Here, first-principles calculations are used to systematically investigate the diffusion mechanisms and structural changes of MoS 2 as anode in lithium (Li)-, sodium (Na)-, magnesium (Mg)- and Zinc (Zn)-io... View More