Robust TiN nanoparticles polysulfide anchor for Li–S storage and diffusion pathways using first principle calculations

Recently, lithium–sulfur (LiS) batteries achieve incredible research interest owing to outstanding theoretical storage capacity, abundant resources, economical, and ecological affability. Nonetheless, the real usage of LS battery obstructs by shuttling-effect of soluble lithium-based polysulfides (LiPSs) that result in languid redox reactions, while the vital diffusion and migration mechanism of Li and S onto TiN surface is yet a myth. Herein,...