2H-MoS2 nanosheets-based binder-free electrode material for supercapacitor

Developing advanced electrode materials for supercapacitors (SCs) has received incredible attention. The suitable electrode for high capacitance and energy density are significant challenges for SCs. This work reports an efficient hydrothermal synthesis of MoS2 nanosheets on carbon cloth (MoS2@CC). The large surface area of the binder-free MoS2@CC electrode provides rich active sites and an improved electrolyte ion diffusion rate. The MoS2@CC electrode exhibits good electrochemical performance by delivering a high specific capacitance of 947 F g−1 at the current density of 1.0 A g−1 and retains an excellent capacitance of 96.5% over 10 000 cycles. The high performance of the MoS2@CC electrode can be clarified through density functional theory (DFT) calculations. The DFT outcomes reveal that the electrode possesses favorable Li-ion intercalation and adsorption properties. The calculated adsorption energy of −0.352 eV at the hollow site shows the high stability of the system. The low energy barrier of path 1 (0.83 eV) easily facilitates Li-ions in the electrode material, which is beneficial for its fast electrochemical performance. The obtained results of the MoS2@CC electrode present improved pseudocapacitive performance, showing a significant possibility for high-performance SCs' application.