Confirmation of disordered structure of ultrasmall CdSe nanoparticles from X-ray atomic pair distribution function analysis.

Yang X, Masadeh AS, McBride JR, Božin ES, Rosenthal SJ, Billinge SJ
Phys Chem Chem Phys. 2013 15 (22): 8480-6

PMID: 23525376 · DOI:10.1039/c3cp00111c

The atomic pair distribution function (PDF) analysis of X-ray powder diffraction data has been used to study the structure of small and ultra-small CdSe nanoparticles. A method is described that uses a wurtzite and zinc-blende mixed phase model to account for stacking faults in CdSe particles. The mixed-phase model successfully describes the structure of nanoparticles larger than 2 nm yielding a stacking fault density of about 30%. However, for ultrasmall nanoparticles smaller than 2 nm, the models cannot fit the experimental PDF showing that the structure is significantly modified from that of larger particles and the bulk. The observation of a significant change in the average structure at ultra-small size is likely to explain the unusual properties of the ultrasmall particles such as their white light emitting ability.

MeSH Terms (5)

Cadmium Compounds Molecular Structure Nanoparticles Powder Diffraction Selenium Compounds

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