Enhancing Bidirectional Sulfur Conversion Through p-d Orbital Hybridization via Vacancy Engineering.

ABSTRACT: Lithium-sulfur batteries (LSBs) have garnered significant concern as materials with high energy density for energy storage. Nevertheless, their severe shuttle effect and delayed redox kinetics limit their practical application. Herein, a strategy based on the regulation of oxygen vacancy concentration in CoWO₄ has been proposed to accelerate polysulfide kinetics. Experiments and density functional theory calculations reveal that catalytic materials with the appropriate number of oxygen vacancies (CWO-M) have moderate adsorption energy and optimal catalytic capacity for polysulfides due to strong p-d orbital hybridization. More importantly, CWO-M not only accelerates the reduction of sulfur during discharge but also significantly accelerates the oxidation of Li₂S durin

SUBMITTER: Chen Y 

PROVIDER: S-EPMC12752616 | biostudies-literature | 2025 Dec

REPOSITORIES: biostudies-literature