Fe-doped ZnO nanoparticles: The oxidation number and local charge on iron, studied by 57Fe Mößbauer spectroscopy and DFT calculations

Jianping Xiao, Agnieszka Kuc, Suman Pokhrel, Lutz Mädler, Rainer Pöttgen, Florian Winter, Thomas Frauenheim, Thomas Heine

Research output: Contribution to journalArticle

18 Citations (Scopus)

Abstract

Iron bru: Fe-doped ZnO may contain Fe2+ and Fe3+ species. Whilst Mößbauer spectroscopy can distinguish these sites in pure oxides FeO and Fe2O3, it gives very similar shifts for Fe-doped phases. This result is rationalized by electron redistribution from the dopant site to the crystal matrix. Mößbauer shifts correlate with the local charge on the Fe sites and different dopant sites can be identified by the Mößbauer quadrupole splitting (see figure).

Original languageEnglish
Pages (from-to)3287-3291
Number of pages5
JournalChemistry - A European Journal
Volume19
Issue number10
DOIs
Publication statusPublished - 2013 Mar 4

All Science Journal Classification (ASJC) codes

  • Catalysis
  • Organic Chemistry

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