Plasmon-induced hot-carrier generation differences in gold and silver nanoclusters

M. BERDAKIN

Nanoscale

Royal Society of Chemistry

Año: 2019 vol. 11 p. 8604 - 8604

2040-3372

the last thirty years, the study of plasmonic properties of noble metal nanos-tructures has become a very dynamic research area. The design and manipulationof matter in the nanometric scale demand a deep understanding of the underlyingphysico-chemical processes that operate in this size regimen. Here, a fully atomisticstudy of the spectroscopic and photodynamic properties of different icosahedral sil-ver and gold nanoclusters have been carried out by using Time-Dependent DensityFunctional Tight-Binding (TD-DFTB) model. Optical absorption spectra of differenticosahedral silver and gold nanoclusters of diameters between 1 and 4 nanometers hasbeen simulated. Furthermore, the energy absorption process have been quantified bymeans of calculating a fully quantum absorption cross-section using the informationcontained in the reduced single-electron density matrix. This approach allows us takeinto account for the quantum confinement effects dominating in this size regime. Like-wise, the plas