Halogenated MXenes with Two-Dimensional Semiconductor InSe for Superior Electrode Contact Properties

The development of MXenes preparation methods has garnered significant attention toward halogens (Cl, Br, I) as newly synthesized terminating groups for MXenes. In this study, we analyzed the work functions of 44 halogen-terminated (F, Cl, Br, I) MXenes, elucidating the mechanisms responsible for variations in work functions and providing plausible explanations for abnormal changes observed. Following this, we identified 30 suitable MXenes for constructing metal–semiconductor junctions with the 2D semiconductor InSe. The majority of these junctions demonstrated lower Schottky barrier heights, and we specifically selected four MXene–InSe junctions that not only form ohmic contacts but also exhibit increased tunneling probabilities. This research underscores the exceptional potential of halogen-terminated MXenes in advancing InSe-based electronic devices.