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The traditional MoSe 2 anode material for lithium-ion batteries has poor cyclic stability and relatively low capacity, which hinders its practical application. Herein, high capacity of Si and Se are exploratively incorporated into two-dimensional MoSe 2 nanopetals to configure Se@MoSe 2 /Si composite. The optimized Se@MoSe 2 /Si composites have both high capacity and good electrochemical stability with a high retention capacity of 1187.7 mAh/g after 200 cycles at 100 mA/g current density. The visible depression on volumetric expansion is observed on the configuration of Se@MoSe 2 /Si. The admirable function of silicon on the enhancement of the electrochemical activity and the conductivity of Se@MoSe 2 is theoretically demonstrated by First-principles calculations. This mutually beneficial interaction between the components demonstrates a promising synergistic effect on Se@MoSe 2 /Si. [ABSTRACT FROM AUTHOR]