期刊
JOURNAL OF SYNCHROTRON RADIATION
卷 26, 期 -, 页码 145-151出版社
INT UNION CRYSTALLOGRAPHY
DOI: 10.1107/S1600577518016685
关键词
X-ray emission spectroscopy; X-ray absorption spectroscopy; electronic structure analysis; TiO2 doping
资金
- National Science Centre, Poland (NCN) [2015/18/E/ST3/00444]
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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