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

Iron bru: Fe-doped ZnO may contain Fe super(2+) and Fe super(3+) species. Whilst Mosbauer spectroscopy can distinguish these sites in pure oxides FeO and Fe sub(2)O sub(3), it gives very similar shifts for Fe-doped phases. This result is rationalized by electron redistribution from the dopant site t... Full description

Journal Title: Chemistry (Weinheim an der Bergstrasse Germany), March 4, 2013, Vol.19(10), pp.3287-3291
Main Author: Xiao, Jianping
Other Authors: Kuc, Agnieszka , Pokhrel, Suman , Mädler, Lutz , Pöttgen, Rainer , Winter, Florian , Frauenheim, Thomas , Heine, Thomas
Format: Electronic Article Electronic Article
Language: English
Subjects:
ID: E-ISSN: 1521-3765 ; DOI: 1521-3765 ; DOI: 10.1002/chem.201204308
Link: http://search.proquest.com/docview/1312661721/?pq-origsite=primo
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title: Fe-doped ZnO nanoparticles: the oxidation number and local charge on iron, studied by 57Fe Mößbauer spectroscopy and DFT calculations.
format: Article
creator:
  • Xiao, Jianping
  • Kuc, Agnieszka
  • Pokhrel, Suman
  • Mädler, Lutz
  • Pöttgen, Rainer
  • Winter, Florian
  • Frauenheim, Thomas
  • Heine, Thomas
subjects:
  • Iron–Chemistry
  • Models, Chemical–Chemistry
  • Nanoparticles–Methods
  • Oxidation-Reduction–Chemistry
  • Spectroscopy, Mossbauer–Chemistry
  • Zinc Oxide–Chemistry
  • Iron
  • Zinc Oxide
ispartof: Chemistry (Weinheim an der Bergstrasse, Germany), March 4, 2013, Vol.19(10), pp.3287-3291
description: Iron bru: Fe-doped ZnO may contain Fe super(2+) and Fe super(3+) species. Whilst Mosbauer spectroscopy can distinguish these sites in pure oxides FeO and Fe sub(2)O sub(3), it gives very similar shifts for Fe-doped phases. This result is rationalized by electron redistribution from the dopant site to the crystal matrix. Mosbauer shifts correlate with the local charge on the Fe sites and different dopant sites can be identified by the Mosbauer quadrupole splitting (see figure).
language: eng
source:
identifier: E-ISSN: 1521-3765 ; DOI: 1521-3765 ; DOI: 10.1002/chem.201204308
fulltext: fulltext
issn:
  • 15213765
  • 1521-3765
url: Link


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titleFe-doped ZnO nanoparticles: the oxidation number and local charge on iron, studied by 57Fe Mößbauer spectroscopy and DFT calculations.
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descriptionIron bru: Fe-doped ZnO may contain Fe super(2+) and Fe super(3+) species. Whilst Mosbauer spectroscopy can distinguish these sites in pure oxides FeO and Fe sub(2)O sub(3), it gives very similar shifts for Fe-doped phases. This result is rationalized by electron redistribution from the dopant site to the crystal matrix. Mosbauer shifts correlate with the local charge on the Fe sites and different dopant sites can be identified by the Mosbauer quadrupole splitting (see figure).
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titleFe-doped ZnO nanoparticles: the oxidation number and local charge on iron, studied by 57Fe Mößbauer spectroscopy and DFT calculations.
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