Effect of intercalated molybdenum atoms on structure and electrochemical properties of Mo_1+x S₂ synthesized by hydrothermal method

As an alternative anode to graphene, molybdenum disulfide (MoS₂) has attracted much attention due to its layered structure and high specific capacity. Moreover, MoS₂ can be synthesized by hydrothermal method with low cost and the size of its layer spacing can be controlled. In this work, the results of experiment and calculation proved that the presence of intercalated Mo atoms, leading to the expansion of MoS₂ layer spacing and weakening of Mo-S bonding. For the electrochemical properties, the presence of intercalated Mo atoms causes the lower reduction potentials for the Li⁺ intercalation and Li₂S formation. In addition, the effective reduction of diffusion resistance and charge transfer resistance in Mo_1+x S₂ leads to the acquisition of high specific capacity for battery applications.