Journal
JOURNAL OF SYNCHROTRON RADIATION
Volume 26, Issue -, Pages 145-151Publisher
INT UNION CRYSTALLOGRAPHY
DOI: 10.1107/S1600577518016685
Keywords
X-ray emission spectroscopy; X-ray absorption spectroscopy; electronic structure analysis; TiO2 doping
Categories
Funding
- National Science Centre, Poland (NCN) [2015/18/E/ST3/00444]
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X-ray emission spectroscopy (XES) and X-ray absorption spectroscopy (XAS) provide a unique opportunity to probe both the highest occupied and the lowest unoccupied states in matter with bulk sensitivity. In this work, a combination of valence-to-core XES and pre-edge XAS techniques are used to determine changes induced in the electronic structure of titanium dioxide doped with nitrogen atoms. Based on the experimental data it is shown that N-doping leads to incorporation of the p-states on the occupied electronic site. For the conduction band, a decrease in population of the lowest unoccupied d-localized orbitals with respect to the d-delocalized orbitals is observed. As confirmed by theoretical calculations, the N p-states in TiO2 structure are characterized by higher binding energy than the O p-states which gives a smaller value of the band-gap energy for the doped material.
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