MoS₂‐on‐MXene Heterostructures as Highly Reversible Anode Materials for Lithium‐Ion Batteries

Abstract Two‐dimensional (2D) heterostructured materials, combining the collective advantages of individual building blocks and synergistic properties, have spurred great interest as a new paradigm in materials science. The family of 2D transition‐metal carbides and nitrides, MXenes, has emerged as an attractive platform to construct functional materials with enhanced performance for diverse applications. Here, we synthesized 2D MoS 2 ‐on‐MXene heterostructures through in situ sulfidation of Mo 2 TiC 2 T x MXene. The computational results show that MoS 2 ‐on‐MXene heterostructures have metallic properties. Moreover, the presence of MXene leads to enhanced Li and Li 2 S adsorption during the intercalation and conversion reactions. These characteristics render the as‐prepared MoS 2 ‐on‐MXene heterostructures stable Li‐ion storage performance. This work paves the way to use MXene to construct 2D heterostructures for energy storage applications.