Hole-Phonon Relaxation and Photocatalytic Properties of Titanium Dioxide and Zinc Oxide: First-Principles Approach

Figure 1

The scheme of the processes that occur after the excitation of the electron-hole pairs near the surface of a photocatalyzer. The notations have the following sense: VB is the band of valence states, CB is the band of conduction states, and OMO and UMO are the occupied and unoccupied molecular states, respectively.