“…The optical properties for a given system are commonly defined by its band gap, which is the energy difference between the highest occupied (or VBM) and lowest unoccupied (or CBM) densities of states (DOSs) for the same, and this energy separation between the two states defines its sensitivity/responsivity to the solar spectrum. Our current understanding of the electronic structure of TiO 2 (as well as many other semiconductors) has been achieved as a result of both independent and combined theoretical (e.g., DOS and density functional theory calculations) and experimental (e.g., X-ray diffraction, X-ray spectroscopy, UV–vis spectroscopy, and Raman spectroscopy) studies. ,,,,− …”