Local vs Nonlocal States in FeTiO₃ Probed with 1s2pRIXS: Implications for Photochemistry.

ABSTRACT: Metal-metal charge transfer (MMCT) is expected to be the main mechanism that enables the harvesting of solar light by iron-titanium oxides for photocatalysis. We have studied FeTiO₃ as a model compound for MMCT with 1s2pRIXS at the Fe K-edge. The high-energy resolution XANES enables distinguishing five pre-edge features. The three first well distinct RIXS features are assigned to electric quadrupole transitions to the localized Fe* 3d states, shifted to lower energy by the 1s core-hole. Crystal field multiplet calculations confirm the speciation of divalent iron. The contribution of electric dipole absorption due to local p-d mixing allowed by the trigonal distortion of the cation site is supported by DFT and CFM calculations. The two other nonlocal features are assigned to elec

SUBMITTER: Hunault MOJY 

PROVIDER: S-EPMC5636175 | biostudies-literature | 2017 Sep

REPOSITORIES: biostudies-literature