Nanostructured MoS2 with Interlayer Controllably Regulated by Ionic Liquids/Cellulose for High‐Capacity and Durable Sodium Storage Properties

Abstract Low intrinsic conductivity and structural instability of MoS 2 as an anode of sodium‐ion batteries limit the liberation of its theoretical capacity. Herein, density functional theory simulations for the first time optimize MoS 2 interlayer distance between 0.80 and 1.01 nm for sodium storage. 1‐Butyl‐3‐methyl‐imidazolium acetate ([BMIm]Ac) induces cellulose oligomers to intercalate MoS 2 interlayers for achieving controllable distance by changing the mass ratio of cellulose to [BMIm]Ac. Based on these findings, porous carbon loading the interlayer‐expanded MoS 2 allowing Na + to insert with fast kinetics is synthesized. A carbon layer derived from [BMIm]Ac and cellulose coating the composite prevents the MoS 2 from contacting electrolytes, leading to less sulfur loss for a more reversible specific capacity. Meanwhile, MoS 2 and carbon have a strong interfacial connection through MoN binding, contributing to enhanced structural stability. As expected, while cycling 250 times at 0.1 A g ‐1 , the MoS 2 ‐porous carbon composite displays an optimal reversible capacity at 517.79 mAh g ‐1 as a sodium‐ion batteries anode. The cyclic test of 1.0 A g ‐1 also shows considerable stability (310.74 mAh g ‐1 after 1000 cycles with 86.26% retentive capacity). This study will open up new possibilities of modifying MoS 2 that serves as an applicable material as sodium‐ion battery anode.