Charge Transfer in Metallocene Intercalated Transition Metal Dichalcogenides

Intercalating redox-active molecules into layered materials expands their functionality for emerging energy technologies. However, the mechanism of charge transfer to and from these small within confined environment host material role in storge are largely unexplored. Herein, we examine processes metallocene intercalated transition metal dichalcogenides, including MoS2 WS2. Combining experimental computational analyses, explore orientation as a function substitution pattern study influence redox potential on electronic structure We further electrochemical response compounds via cyclic voltammetry. Our results show that remains its is dramatically affected by speciation concentration cations electrolyte. work provides general strategy studying responses intercalants highlights emergent phenomena regulating may be useful storage catalysis.