Sulfophilic and lithophilic sites in bimetal nickel-zinc carbide with fast conversion of polysulfides for high-rate Li-S battery

Abstract The notorious shuttle effect and slow reaction kinetics of lithium polysulfides (LiPSs) severely limit the cycle stability and rate performance of lithium sulfur (Li-S) batteries. Herein, we demonstrated that the issue of shuttling effect of LiPSs could be effectively addressed by using a separator coating based on Ni3ZnC0.7 bimetal carbide nanoparticles dispersed in nitrogen-doped porous carbon material matrix containing small amount of Ni metal particles, namely Ni3ZnC0.7/Ni/NCNTs. When used as a separator coating of Li-S cells, the Ni3ZnC0.7 bimetal carbides demonstrated efficient adsorption and catalytic effect towards LiPSs, inhibiting the shuttle effect and enhancing the electrochemical performance of device. The Li-S cell still maintained excellent charging and discharging platform even at a high rate of 7C. Theoretical calculation shows that, compared to the monometal carbide Ni3C, the bimetal carbide Ni3ZnC0.7 possesses the advantageous properties of both sulfophilic sites of Ni and lithophilic sites of Zn, resulting in reduced energy barriers for lithium ion diffusion and improved catalytic capability, thus enhancing reaction kinetics of LiPSs. This work paves a new way to resolving the critical issues of shuttle effect, cycle stability and rate capability of Li-S batteries by taking advantage of synergistic effect of Ni and Zn in the bimetal carbide.