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Simulating Plasmon Resonances of Gold Nanoparticles with Bipyramidal Shapes by Boundary Element Methods
journal contribution
posted on 2020-05-21, 16:04 authored by Jacopo Marcheselli, Denis Chateau, Frederic Lerouge, Patrice Baldeck, Chantal Andraud, Stephane Parola, Stefano Baroni, Stefano Corni, Marco Garavelli, Ivan RivaltaComputational
modeling and accurate simulations of localized surface
plasmon resonance (LSPR) absorption properties are reported for gold
nanobipyramids (GNBs), a class of metal nanoparticle that features
highly tunable, geometry-dependent optical properties. GNB bicone
models with spherical tips performed best in reproducing experimental
LSPR spectra while the comparison with other geometrical models provided
a fundamental understanding of base shapes and tip effects on the
optical properties of GNBs. Our results demonstrated the importance
of averaging all geometrical parameters determined from transmission
electron microscopy images to build representative models of GNBs.
By assessing the performances of LSPR absorption spectra simulations
based on a quasi-static approximation, we provided an applicability
range of this approach as a function of the nanoparticle size, paving
the way to the theoretical study of the coupling between molecular
electron densities and metal nanoparticles in GNB-based nanohybrid
systems, with potential applications in the design of nanomaterials
for bioimaging, optics and photocatalysis.
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Keywords
quasi-static approximationgold nanobipyramidsrepresentative modelsnanoparticle sizeBoundary Element Methods Computatio...GNB bicone modelstransmission electron microscopy imagesGold Nanoparticleselectron densitiestip effectsmetal nanoparticleapplicability rangeSimulating Plasmon Resonancessurface plasmon resonanceGNB-based nanohybrid systemsbase shapesBipyramidal ShapesLSPR absorption spectra simulationsLSPR spectrametal nanoparticlesabsorption properties
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