Lithium-Sulfur Battery Cathode Design: Tailoring Metal-Based Nanostructures for Robust Polysulfide Adsorption and Catalytic Conversion

Lithium-sulfur (Li-S) batteries have a high specific energy capacity and density of 1675 mAh g(-1) and 2670 Wh kg(-1), respectively, rendering them among the most promising successors for lithium-ion batteries. However, there are myriads of obstacles in the practical application and commercialization of Li-S batteries, including the low conductivity of sulfur and its discharge products (Li2S/Li2S2), volume expansion of sulfur electrode, and the polysulfide shuttle effect. Hence, immense attention has been devoted to rectifying these issues, of which the application of metal-based compounds (i.e., transition metal, metal phosphides, sulfides, oxides, carbides, nitrides, phosphosulfides, MXenes, hydroxides, and metal-organic frameworks) as sulfur hosts is profiled as a fascinating strategy to hinder the polysulfide shuttle effect stemming from the polar-polar interactions between the metal compounds and polysulfides. This review encompasses the fundamental electrochemical principles of Li-S batteries and insights into the interactions between the metal-based compounds and the polysulfides, with emphasis on the intimate structure-activity relationship corroborated with theoretical calculations. Additionally, the integration of conductive carbon-based materials to ameliorate the existing adsorptive abilities of the metal-based compound is systematically discussed. Lastly, the challenges and prospects toward the smart design of catalysts for the future development of practical Li-S batteries are presented.

Automated summary

Lithium-sulfur (Li-S) batteries have high specific energy capacity and density, making them promising successors to lithium-ion batteries. However, obstacles such as low sulfur conductivity and volume expansion of sulfur electrodes have led to research focusing on metal-based compounds to address issues like the polysulfide shuttle effect. The review highlights the need for smart catalyst design to overcome challenges in the practical application and commercialization of Li-S batteries.