MXene Manipulating the Electronic and Photoelectric Properties of a Fullerene-Layered Heterojunction

An in-depth study of the substrate effect is crucial for optimizing and designing the performance of two-dimensional (2D) materials in practical applications. Fullerene monolayers (FMs), a new pure carbon system successfully prepared recently, have prompted renewed interest in the question of whether FMs might be exploited to create carbon-based functional materials with improved performance. Here, the electronic structure of a MXene-supported FM was investigated by first-principles calculations. Various band offset types, including types I, II, and III, exist in the FM/M