In Situ Sulfurization for Assembling MoS/MoC i-MXene Heterostructure as Anode in Li-Ion Batteries.

2D heterostructure materials exhibiting strong synergistic effects hold significant potential for applications in Li-ion batteries (LIBs). Here, a MoS/MoC heterostructure via using thiourea as an annealing agent  for in situ sulfurization is prepared. MoS is grown directly from MoC i-MXene nanosheets to form 3D wrinkled structures. Furthermore, the heterostructure with strengthened interaction between MoS and MoC facilitates Li adsorption and enhances structural stability. As an anode for LIBs, MoS/MoC heterostructures demonstrate an excellent specific capacity of 884.6 mAh g at 0.05 A g and superior rate performance. Additionally, a reversible capacity of 437.2 mAh g after 500 cycles at 0.5 A g demonstrates excellent reversibility and sustained stability over long cycles. By density functional theory calculations, such enhanced electrochemical energy storage performance is caused by superior conductivity and improved Li-ion adsorption capability due to the 2H-MoS/MoC heterostructure. Additionally, a full cell based on a MoS/MoC heterostructure anode and a commercial NCM811 cathode demonstrates superior rate capability and cycling stability and potential for practical applications. This work presents a new insight into unique MoS/MoC heterostructures for high-performance Li-ion storage.