Pressure-Induced Modulation of Electronic and Optical Properties of Surface O-Functionalized Ti2C MXene

mainly results from the Ti-d state. Research indicates that there exist strong interactions between Ti-d and C-p, and Ti-d and O-p states, which are further confirmed by the charge analysis. In addition, the absorption is enhanced in the visible region with increasing pressure. We also observed some new absorption peaks in the visible region.