Direct experimental evidence for SbZn–2VZn complex as the important defect in the Sb-doped ZnO nanocrystals

• Sb doped ZnO nanocrystals was prepared by a vapor condensation method.
• Sb doped ZnO nanocrystals exhibited an obvious shrinkage of crystal lattice.
• The XRD results provide direct evidence for the model based on SbZn–2VZn complex.
• This is in good agreement with the PL spectrum and red shift of absorption peak.

There is a theoretical structure model for Sb doped ZnO in which Sb dopants occupy Zn sites to form a SbZn–2VZn complex and this model has been confirmed rarely by the structure characterizations. Here, Sb doped ZnO nanocrystals (NCs) were prepared by a vapor condensation method and exhibited a shrinkage of crystal lattice, providing a direct experimental evidence for this model. The shrinkage of crystal lattice was accurately characterized by XRD, and mainly attributed to the formation of SbZn–2VZn complex which agreed well with a new peak at ~3.10 eV in the PL spectrum and red shift of adsorption peak in the UV–vis spectrum compared with that of pure ZnO NCs.