MoS₂/Ti₃CO₂ heterostructure-based ceramics as promising electrode material for high-performance monovalent energy storage devices

With the growing need for soft robots and wearable electronics, batteries play a crucial role, but finding high-performance electrode materials is still difficult. Recently, heterostructures (HS) have been effectively developed, and it has been discovered that they perform superbly as electrodes/anodes and for metal ion batteries (MIBs). However, the mechanism behind the promising experimental outcomes is not fully understood. This study shows that MoS₂/Ti₃CO₂ HS is an attractive and competitive anode/electrode material for Li⁺/Na⁺/K⁺-ions batteries. The HS system shows enhanced electrical conductivities compared to MoS₂ and Ti₃CO₂ single-layers. The calculated adsorption energies (E_ads) prove the admirable higher negative values for Li⁺ compared to the Na⁺/K⁺-ions. Due to the lower diffusion energy barrier of Li⁺-ion than the Na⁺/K⁺-ions, it can be concluded that MoS₂/Ti₃CO₂ HS is a promising anode/electrode material for Li⁺-ion batteries. The results discussed above shed light on the experimental configuration of the HS-based electrode/anode material for MIBs.