Atomic positional versus electronic order in semiconducting ZnSe nanoparticles Academic Article uri icon


  • Abstract Size-controlled ZnSe nanoparticles with high extents of atomic positional order are shown to exhibit large size-dependent variations in their local electronic environments. Solid- state Se 77 and Zn 67 NMR spectra reveal increasingly broad distributions of Se 77 and Zn 67 environments with decreasing nanoparticle sizes, in contrast with high degrees of atomic positional order established by transmission electron microscopy and x-ray diffraction. First- principles calculations of NMR parameters distinguish between atomic positional and electronic disorder that propagate from the nanoparticle surfaces and yield insights on the order and disorder present.

publication date

  • January 1, 2009