Theoretical Calculations Facilitating Catalysis for Advanced Lithium-Sulfur Batteries.

ABSTRACT: Lithium-sulfur (Li-S) batteries have emerged as one of the most hopeful alternatives for energy storage systems. However, the commercialization of Li-S batteries is still confronted with enormous hurdles. The poor conductivity of sulfur cathodes induces sluggish redox kinetics. The shuttling of polysulfides incurs the heavy failure of electroactive substances. Tremendous efforts in experiments to seek efficient catalysts have achieved significant success. Unfortunately, the understanding of the underlying catalytic mechanisms is not very detailed due to the complicated multistep conversion reactions in Li-S batteries. In this review, we aim to give valuable insights into the connection between the catalyst activities and the structures based on theoretical calculations, which will lead the

SUBMITTER: Fang XT 

PROVIDER: S-EPMC10647639 | biostudies-literature | 2023 Oct

REPOSITORIES: biostudies-literature