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 (Eads) 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.