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Issue 4, 2010
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Nitrogen impurity states in polycrystalline ZnO. A combined EPR and theoretical study

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Abstract

Continuous wave (CW) and pulse electron paramagnetic resonance (EPR) experiments, in conjunction with density functional theory (DFT) calculations, provide a detailed description of defective centres produced upon nitrogen doping of polycrystalline ZnO. Two distinct paramagnetic species are formed upon annealing of ZnO nanoparticles in an NH3 atmosphere, which are characterized by the interaction of the unpaired electron with one and two N nuclei. HYSCORE experiments provide the full hyperfine and quadrupole interaction tensors for the monomeric defect, which, on the basis of quantum chemical calculations, is assigned to a nitrogen ion substituting a lattice oxygen ion.

Graphical abstract: Nitrogen impurity states in polycrystalline ZnO. A combined EPR and theoretical study

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Supplementary files

Article information


Submitted
31 Jul 2009
Accepted
22 Oct 2009
First published
30 Nov 2009

J. Mater. Chem., 2010,20, 689-697
Article type
Paper

Nitrogen impurity states in polycrystalline ZnO. A combined EPR and theoretical study

F. Gallino, C. Di Valentin, G. Pacchioni, M. Chiesa and E. Giamello, J. Mater. Chem., 2010, 20, 689
DOI: 10.1039/B915578C

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