Triggering Reversible Intercalation‐Conversion Combined Chemistry for High‐Energy–Density Lithium Battery Cathodes

Combining intercalation and conversion reactions maximizes the utilization of redox-active elements in electrodes, providing a means for overcoming the current capacity ceiling. However, integrating both mechanisms within a single electrode material presents significant challenges owing to their contrasting structural requirements. Intercalation requires a well-defined host structure for efficient lithium-ion diffusion, whereas conversion reactions entail structural reorganization, which can undermine intercalation capabilities. Based on the previous study that successfully demonstrated reversible intercalation-conversion chemistry in amorphous LiFeSO4F, this study aims to provide an in-depth understanding on how this can be enabled. Experimental and theoretical investigations of a model system based on tavorite-structured LiFeSO4F revealed that amorphization governs the activation and r…