Plasmonic Resonances of Metal Nanoparticles: Atomistic vs. Continuum Approaches
| Autor: | Luca Bonatti, Gabriel Gil, Tommaso Giovannini, Stefano Corni, Chiara Cappelli |
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| Přispěvatelé: | Bonatti, Luca, Gil, Gabriel, Giovannini, Tommaso, Corni, Stefano, Cappelli, Chiara |
| Jazyk: | angličtina |
| Předmět: |
Materials science
classical atomistic model ?FQ 02 engineering and technology 010402 general chemistry 01 natural sciences 7. Clean energy Electric charge fluctuating charges lcsh:Chemistry Electrical resistivity and conductivity Electric field Atom BEM optical spectra ωFQ Plasmon Quantum tunnelling Original Research Condensed matter physics General Chemistry 021001 nanoscience & nanotechnology Electrostatics Drude model 0104 chemical sciences Chemistry lcsh:QD1-999 0210 nano-technology |
| Zdroj: | Frontiers in Chemistry 8 (2020). doi:10.3389/fchem.2020.00340 info:cnr-pdr/source/autori:Bonatti L.; Gil G.; Giovannini T.; Corni S.; Cappelli C./titolo:Plasmonic Resonances of Metal Nanoparticles: Atomistic vs. Continuum Approaches/doi:10.3389%2Ffchem.2020.00340/rivista:Frontiers in Chemistry/anno:2020/pagina_da:/pagina_a:/intervallo_pagine:/volume:8 Frontiers in Chemistry Frontiers in Chemistry, Vol 8 (2020) |
| ISSN: | 2296-2646 6004-6015 |
| DOI: | 10.3389/fchem.2020.00340 |
| Popis: | The fully atomistic model, ωFQ, based on textbook concepts (Drude theory, electrostatics, quantum tunneling) and recently developed by some of the present authors in Nanoscale, 11, 6004-6015 is applied to the calculation of the optical properties of complex Na, Ag, and Au nanostructures. In ωFQ, each atom of the nanostructures is endowed with an electric charge that can vary according to the external electric field. The electric conductivity between nearest atoms is modeled by adopting the Drude model, which is reformulated in terms of electric charges. Quantum tunneling effects are considered by letting the dielectric response of the system arise from atom-atom conductivity. ωFQ is challenged to reproduce the optical response of metal nanoparticles of different sizes and shapes, and its performance is compared with continuumBoundary Element Method (BEM) calculations. |
| Databáze: | OpenAIRE |
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