Prospects of Band Structure Engineering in MXenes for Active Switching MXetronics: Computational Insights and...

MXenes, two-dimensional (2D) transition metal carbides and nitrides, have shown promise in a variety of applications. The use of MXenes in active electronic devices is restricted to electrode materials due to their metallic nature. However, MXenes can be modified to be semiconducting and can be used for next-generation channel materials. The inherent metallic characteristics of pristine M_n+1X_n-structured MXene can be tuned to semiconducting by (i) functionalizing MXenes with different moieties, (ii) applying external strain, and (iii) varying the composition. These strategies effectively modify the metallic electronic structure of MXene into a semiconducting one. This review focuses on the potential of tuning the electronic band structure of MXenes by surface functionalization, strain engineering, and compositional variation. The computational and experimental approaches to tuning the electronic band structure using these strategies are discussed in detail. In addition, the experimental methods which can be used to prepare semiconducting MXenes are described.