“…As shown in Figure c, O k-edge NEXAFS spectra of pristine TiO 2 comprise two main regimes, a pre-edge region with two peaks (labeled a and b) between 530 and 536 eV and a broader region consisting of four broader higher-energy peaks (labeled c, d′, d, and e) between 538 and 555 eV. − The first two peaks a and b, observed at 531.6 and 534.3 eV, respectively, for the TO-0 film, arise due to the oxygen 2p empty states hybridized with the Ti 3d band, with the former having π symmetry and the latter σ symmetry. − Peak c (539.6 eV) is attributed to oxygen 2p states, which are antibonding combinations of direct oxygen–oxygen interactions . Peaks d′ (542.3 eV) and d (545.7 eV) are attributed to oxygen 2p empty states hybridized with Ti 4s and 4p states, respectively. , Peaks a, b, c, d′, and d thus correspond to the transitions O 1s → π*(O 2p + Ti 3d), O 1s → σ*(O 2p + Ti 3d), O 1s → σ*(O 2p), O 1s → σ*(O 2p + Ti 4s), and O 1s → σ*(O 2p + Ti 4p), respectively.…”