1 research outputs found
Elucidation of Rh-Induced In-Gap States of Rh:SrTiO<sub>3</sub> Visible-Light-Driven Photocatalyst by Soft X‑ray Spectroscopy and First-Principles Calculations
The occupied and unoccupied in-gap electronic states
of a Rh-doped
SrTiO<sub>3</sub> photocatalyst were investigated by X-ray emission
spectroscopy and X-ray absorption spectroscopy for different Rh impurity
valence states and doping levels. An unoccupied midgap Rh<sup>4+</sup> acceptor state was found 1.5 eV below the SrTiO<sub>3</sub> conduction
band minimum. Both Rh<sup>4+</sup> and Rh<sup>3+</sup> dopants were
found to have an occupied donor level close to the valence band maximum
of SrTiO<sub>3</sub>. The density of states obtained from first-principles
calculations show that all observed spectral features can be assigned
to electronic states of substitutional Rh at the Ti site and that
Rh:SrTiO<sub>3</sub> is an unusual titanate compound with a characteristic
p-type electronic structure. The Rh doping results in a large decrease
of the bandgap energy, making Rh:SrTiO<sub>3</sub> an attractive material
for use as a visible-light-driven H<sub>2</sub>-evolving photocatalyst
in a solar water splitting reaction