Fermiology and Band Structure of Oxygen-Terminated Ti3C2Tx MXene (2503.08527v1)

Abstract: The class of two-dimensional carbides and nitrides known as MXenes exhibit remarkable electronic properties. Tailoring these properties, however, requires an in-depth understanding of the band structure and Fermi-surface topology. Surface oxidation of MXenes has previously hampered the characterization of their Fermi surface, which is crucial for understanding the topology and anisotropy in the electronic structure and, ultimately, for tailoring electronic properties. Here, we reveal the Fermi surface topology and band structure of purely oxygen-terminated Ti3C2Tx MXene achieved through rigorous thin film sample preparation and ultrahigh vacuum annealing. Polarized synchrotron radiation-based angle-resolved photoemission spectroscopy reveals electron pockets, bulk band gaps, and a Dirac-like feature in the anisotropic electronic band structure. This paves the way for a fundamental understanding of band engineering of electronic transport properties, providing insights of importance for energy storage devices, transparent conductors, and catalysis.