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Lafiosca, Piero
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article
Fully atomistic modeling of plasmonic bimetallic nanoparticles: nanoalloys and core-shell systems
Abstract
<jats:p>The recently developed <jats:italic>ω</jats:italic>FQF<jats:italic>μ</jats:italic> model (<jats:italic>ACS Photonics</jats:italic>, 9, 3,025–3,034) is extended to bimetallic nanoparticles, such as nanoalloys and core-shell systems. The method finds its grounds in basic physical concepts, such as Drude conduction theory, electrostatics, interband transitions, and quantum tunneling. The approach, which is parametrized on <jats:italic>ab initio</jats:italic> simulations of Ag-Au nanoalloys, is challenged against complex Ag-Au nanostructures (spheres, nanorods, and core-shell nanoparticles). Remarkable agreement with available experimental data is found, thus demonstrating the reliability of the newly developed approach.</jats:p>