Optical Property Trends in Metal/Polymer (Ag/PVDF) Nanocomposites: A Computational Study

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dc.contributor.author Rowan, Christopher Kenneth
dc.date.accessioned 2013-09-30T15:28:28Z
dc.date.available 2013-09-30T15:28:28Z
dc.date.copyright 2011 en_US
dc.date.issued 2013-09-30
dc.identifier.uri http://hdl.handle.net/1828/4976
dc.description.abstract Metal-polymer nanocomposite materials were found to have highly tunable opti- cal properties. Density functional theory-based calculations were employed to study trends in Ag/polyvinylidene fluoride nanocomposite optical properties. The frequency- dependent imaginary part of the dielectric constant was calculated from dipolar inter- band transitions. The metallic inclusion introduced both occupied and unoccupied states into the large polymer band gap. Thus, higher inclusion volume fractions generally led to stronger composite optical response. Spectra from monodisperse sys- tems correlated well with nanoparticle quantum confinement models. A polydisperse system exhibited optical properties that correlated best with interparticle distances along the field direction. Nanodisk and nanorod-shaped inclusions had tunable re- sponse from field polarization, aspect ratio, crystallographic projections, and nanorod end-cap morphology. en_US
dc.language English eng
dc.language.iso en en_US
dc.subject Nanocomposite en_US
dc.subject Optical properties en_US
dc.subject Polymer en_US
dc.title Optical Property Trends in Metal/Polymer (Ag/PVDF) Nanocomposites: A Computational Study en_US
dc.type Thesis en_US
dc.contributor.supervisor Paci, Irina
dc.degree.department Dept. of Chemistry en_US
dc.degree.level Master of Science M.Sc. en_US
dc.rights.temp Available to the World Wide Web en_US
dc.description.scholarlevel Graduate en_US
dc.description.proquestcode 0495 en_US

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