The influence of nitrogen doping on the electronic structure of the valence and conduction band in TiO2

Klaudia Wojtaszek, Anna Wach, Joanna Czapla-Masztafiak, Krzysztof Tyrala, S. Jacinto, Lütfiye Yıldız Özer, Corrado Garlisi, Giovanni Palmisano, Jakub Szlachetko

Research output: Contribution to journalArticlepeer-review

10 Scopus citations

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.

Original languageBritish English
Pages (from-to)145-151
Number of pages7
JournalJournal of Synchrotron Radiation
Volume26
Issue number1
DOIs
StatePublished - Jan 2019

Keywords

  • electronic structure analysis
  • TiO doping
  • X-ray absorption spectroscopy
  • X-ray emission spectroscopy

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