Anatase is a pivotal material in devices for energy-harvesting applications and catalysis.
Methods for the accurate characterization of this reducible oxide at the atomic scale are
critical in the exploration of outstanding properties for technological developments. Here
we combine atomic force microscopy (AFM) and scanning tunnelling microscopy (STM),
supported by first-principles calculations, for the simultaneous imaging and unambiguous
identification of atomic species at the (101) anatase surface. We demonstrate that dynamic
AFM-STM operation allows atomic resolution imaging within the material’s band gap. Based
on key distinguishing features extracted from calculations and experiments, we identify
candidates for the most common surface defects. Our results pave the way for the understanding
of surface processes, like adsorption of metal dopants and photoactive molecules,
that are fundamental for the catalytic and photovoltaic applications of anatase, and
demonstrate the potential of dynamic AFM-STM for the characterization of wide band gap
materials.