Lithium Sulfide Decomposition and Charging Kinetics

Latest Nature report on lithium-sulfur batteries! Quantum chemistry + machine learning design of lithium-sulfur precursors.

Molecular mediators in lithium-sulfur batteries are essentially a class of organic molecular additives added to the electrolyte. They interact with polysulfides to alter sulfur conversion pathways, reduce reaction polarization, and improve the Li₂S deposition process. Past molecular additive design focused more on functional groups, such as their ability to bind polysulfides or promote Li₂S formation. This Nature paper by Zhou Guangmin's team at Tsinghua University's Shenzhen International Graduate School focuses on the molecular skeleton of organic additives: even within the CPyr class of molecules, different substituents and substitution sites simultaneously affect the rate at which the molecule is activated by polysulfides, as well as the charge transfer capability of the activated mediator.