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Sc is the lightest transition metal that could help to achieve the goal ofhigh theoretical capacity. Hence, we here explored the performance of ScS_{2}monolayer as a cathode material for alkali-ion batteries (Li, Na, K) and othermulti-valent metal-ion batteries (Mg, Al). Previous studies on ScS_{2} havefocused only on the fundamental electronic and magnetic properties of theScS_{2} monolayer, but not on its possible applications. Our first-principlescalculations show that 2D ScS_{2} is able to deliver a large theoreticalcapacity of 491.36 mAh g^{-1} for alkali-ions and 324.29 mAh g^{-1} for Mg andAl-ions while maintaining good average open-circuit voltages. We also studiedthe diffusivity of these metal ions on the ScS_{2} surface which is related tothe charge/discharge rate capability of batteries. Our results suggest lowdiffusion barriers for all metal ions except Al. Owing to these results, we,therefore, believe that the ScS_{2} monolayer can be an interesting candidatefor cathode material to be used in alkali-ion batteries and beyond.

ScS_{2} Monolayer as a Potential Cathode Material for Alkali-ion Batteries and Beyond