期刊
JOURNAL OF MATERIALS CHEMISTRY
卷 20, 期 4, 页码 689-697出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/b915578c
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资金
- Compagnia di San Paolo
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.
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