Construction of M-Sb (M=Co, Ni) alloys nanoparticles embedded in carbon fibers for lithium-ion batteries

Abstract

Lithium-ion battery (LIBs) applications using antimony (Sb) based anodes with high specific capacity and suitable operating voltage have showed tremendous potential. However, the large volume variation during electrochemical cycling limits their application. In this paper, M-Sb (M=Co, Ni) nanoparticles embedded in nitrogen doped carbon nanofibers have been prepared by an electrospinning method, 3D interconnected M-Sb@CN (NiSb@CN and Sb/CoSb2@CN) fiber composites are obtained finally. M-Sb nanoparticles are uniformly distributed in N-doped carbon nanofibers, which can prevent their direct exposure to the electrolyte. Compared with bare Sb-M and Sb-C binary electrodes, the M-Sb-C three-component composite electrodes show smaller volume change and stronger charge transport ability. The introduction of the transition metal (Co, Ni) not only serves as buffer substrate for volume change, but also regulates the properties of carbon fibers as a catalyst. High reversible capacities of 647.4 and 620.2 mA h g−1 of NiSb@CN and Sb/CoSb2@CN fiber composites can be maintained after 600 cycles at a current rate of 500 mA g−1. First principles calculation demonstrates that N-doping and the incorporation of transition metal M have favorable effect on the improved Li binding energy, offering a possibility for the material design of the high-performance LIBs.