2D amorphous-MoO3−x@Ti3C2-MXene non-van der Waals heterostructures as anode materials for lithium-ion batteries

Abstract

2D heterostructures offer a great opportunity in seeking high-performing energy storage materials; however, performance ceiling exists, limited by their van-der-Waals (vdW) interactions. Here, we explore a novel 2D, amorphous MoO3−x (aMoO3−x) on Ti3C2-MXene, non-vdW heterostructure via a facile synthesis route. Density functional theory computations suggest that the non-vdW heterostructure can strongly stabilize aMoO3−x while maintaining electrical conductivity at a high level. Facile 2D Li-ion diffusion can then be achieved in the restacked 2D non-vdW heterostructures due to the weakened interactions between two defective MoO3−x layers, leading to a capacitor-like interlayer diffusion reaching a large capacity of 426 C g−1 on the surface of the amorphous layer and a diffusion-controlled intralayer diffusion of 546 C g−1 within the amorphous layer. These characteristics optimize Li-ion storage kinetics while achieving full capacities of amorphous materials with high stability. This work might offer a feasible platform of 2D non-vdW heterostructures for boosting and understanding Li-ion storage performance.