title: Atomic positional versus electronic order in semiconducting ZnSe nanoparticles.
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 ;{77}Se and ;{67}Zn NMR spectra reveal increasingly broad distributions of ;{77}Se and ;{67}Zn 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.
authors.affiliation: Department of Chemical Engineering, University of California, Santa Barbara, California 93106, USA.
authors.forename: S
authors.initials: S
authors.lastname: Cadars
authors.forename: B J
authors.initials: BJ
authors.lastname: Smith
authors.forename: J D
authors.initials: JD
authors.lastname: Epping
authors.forename: S
authors.initials: S
authors.lastname: Acharya
authors.forename: N
authors.initials: N
authors.lastname: Belman
authors.forename: Y
authors.initials: Y
authors.lastname: Golan
authors.forename: B F
authors.initials: BF
authors.lastname: Chmelka