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The influence of nitrogen doping on the electronic structure of the valence and conduction band in TiO2
- Source :
- Journal of Synchrotron Radiation. 26:145-151
- Publication Year :
- 2019
- Publisher :
- International Union of Crystallography (IUCr), 2019.
-
Abstract
- 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.
- Subjects :
- 0303 health sciences
Nuclear and High Energy Physics
education.field_of_study
X-ray absorption spectroscopy
Radiation
Valence (chemistry)
Materials science
Absorption spectroscopy
030303 biophysics
Doping
Binding energy
Population
02 engineering and technology
Electronic structure
021001 nanoscience & nanotechnology
Molecular physics
03 medical and health sciences
Emission spectrum
0210 nano-technology
education
Instrumentation
Subjects
Details
- ISSN :
- 16005775
- Volume :
- 26
- Database :
- OpenAIRE
- Journal :
- Journal of Synchrotron Radiation
- Accession number :
- edsair.doi...........962ad4ecbfc3231c5a5fac984ec837c6